data_10194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10194 _Entry.Title ; Solution structure of the SH3 domain of mouse RUN and TBC1 domain containing 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-19 _Entry.Accession_date 2008-02-19 _Entry.Last_release_date 2009-02-27 _Entry.Original_release_date 2009-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Abe . . . 10194 2 N. Tochio . . . 10194 3 K. Miyamoto . . . 10194 4 K. Saito . . . 10194 5 A. Sasagawa . . . 10194 6 S. Koshiba . . . 10194 7 M. Inoue . . . 10194 8 T. Kigawa . . . 10194 9 S. Yokoyama . . . 10194 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 10194 '15N chemical shifts' 72 10194 '1H chemical shifts' 492 10194 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-27 2008-02-19 original author . 10194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUO 'BMRB Entry Tracking System' 10194 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the SH3 domain of mouse RUN and TBC1 domain containing 3' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Abe . . . 10194 1 2 N. Tochio . . . 10194 1 3 K. Miyamoto . . . 10194 1 4 K. Saito . . . 10194 1 5 A. Sasagawa . . . 10194 1 6 S. Koshiba . . . 10194 1 7 M. Inoue . . . 10194 1 8 T. Kigawa . . . 10194 1 9 S. Yokoyama . . . 10194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10194 _Assembly.ID 1 _Assembly.Name 'RUN and TBC1 domain containing 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10194 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2YUO . . . . . . 10194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRRAKALLDFERHD DDELGFRKNDIITIISQKDE HCWVGELNGLRGWFPAKFVE VLDERSKEYSIASGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YUO . "Solution Structure Of The Sh3 Domain Of Mouse Run And Tbc1 Domain Containing 3" . . . . . 100.00 78 100.00 100.00 5.01e-48 . . . . 10194 1 2 no DBJ BAC82539 . "brain-derived integrating factor-1 [Rattus norvegicus]" . . . . . 87.18 749 97.06 97.06 6.56e-36 . . . . 10194 1 3 no DBJ BAE42041 . "unnamed protein product [Mus musculus]" . . . . . 87.18 760 97.06 97.06 6.82e-36 . . . . 10194 1 4 no EMBL CAG04108 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 83.33 814 96.92 100.00 2.18e-35 . . . . 10194 1 5 no GB AAH18197 . "Small G protein signaling modulator 3 [Mus musculus]" . . . . . 87.18 750 97.06 97.06 6.41e-36 . . . . 10194 1 6 no GB AAH24122 . "Small G protein signaling modulator 3 [Mus musculus]" . . . . . 87.18 750 97.06 97.06 6.41e-36 . . . . 10194 1 7 no GB AAH25561 . "Small G protein signaling modulator 3 [Mus musculus]" . . . . . 87.18 750 97.06 97.06 6.41e-36 . . . . 10194 1 8 no GB AAH54597 . "Small G protein signaling modulator 3 [Danio rerio]" . . . . . 83.33 755 96.92 100.00 3.51e-36 . . . . 10194 1 9 no GB AAH62060 . "Small G protein signaling modulator 3 [Rattus norvegicus]" . . . . . 87.18 749 97.06 97.06 6.56e-36 . . . . 10194 1 10 no REF NP_001070013 . "small G protein signaling modulator 3 [Bos taurus]" . . . . . 83.33 747 98.46 100.00 9.20e-37 . . . . 10194 1 11 no REF NP_598852 . "small G protein signaling modulator 3 [Mus musculus]" . . . . . 87.18 760 97.06 97.06 6.62e-36 . . . . 10194 1 12 no REF NP_942082 . "small G protein signaling modulator 3 [Rattus norvegicus]" . . . . . 87.18 763 97.06 97.06 5.67e-36 . . . . 10194 1 13 no REF NP_998495 . "small G protein signaling modulator 3 [Danio rerio]" . . . . . 83.33 755 96.92 100.00 3.51e-36 . . . . 10194 1 14 no REF XP_001097960 . "PREDICTED: small G protein signaling modulator 3-like [Macaca mulatta]" . . . . . 83.33 699 98.46 100.00 1.09e-35 . . . . 10194 1 15 no SP Q2KI13 . "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" . . . . . 83.33 747 98.46 100.00 9.20e-37 . . . . 10194 1 16 no SP Q6P6R7 . "RecName: Full=Small G protein signaling modulator 3; AltName: Full=BDIF-1; AltName: Full=RUN and TBC1 domain-containing protein" . . . . . 87.18 749 97.06 97.06 6.56e-36 . . . . 10194 1 17 no SP Q7T2D0 . "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" . . . . . 83.33 755 96.92 100.00 3.51e-36 . . . . 10194 1 18 no SP Q8VCZ6 . "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" . . . . . 87.18 750 97.06 97.06 6.41e-36 . . . . 10194 1 19 no TPG DAA29091 . "TPA: small G protein signaling modulator 3 [Bos taurus]" . . . . . 83.33 747 98.46 100.00 9.20e-37 . . . . 10194 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10194 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10194 1 2 . SER . 10194 1 3 . SER . 10194 1 4 . GLY . 10194 1 5 . SER . 10194 1 6 . SER . 10194 1 7 . GLY . 10194 1 8 . ARG . 10194 1 9 . ARG . 10194 1 10 . ALA . 10194 1 11 . LYS . 10194 1 12 . ALA . 10194 1 13 . LEU . 10194 1 14 . LEU . 10194 1 15 . ASP . 10194 1 16 . PHE . 10194 1 17 . GLU . 10194 1 18 . ARG . 10194 1 19 . HIS . 10194 1 20 . ASP . 10194 1 21 . ASP . 10194 1 22 . ASP . 10194 1 23 . GLU . 10194 1 24 . LEU . 10194 1 25 . GLY . 10194 1 26 . PHE . 10194 1 27 . ARG . 10194 1 28 . LYS . 10194 1 29 . ASN . 10194 1 30 . ASP . 10194 1 31 . ILE . 10194 1 32 . ILE . 10194 1 33 . THR . 10194 1 34 . ILE . 10194 1 35 . ILE . 10194 1 36 . SER . 10194 1 37 . GLN . 10194 1 38 . LYS . 10194 1 39 . ASP . 10194 1 40 . GLU . 10194 1 41 . HIS . 10194 1 42 . CYS . 10194 1 43 . TRP . 10194 1 44 . VAL . 10194 1 45 . GLY . 10194 1 46 . GLU . 10194 1 47 . LEU . 10194 1 48 . ASN . 10194 1 49 . GLY . 10194 1 50 . LEU . 10194 1 51 . ARG . 10194 1 52 . GLY . 10194 1 53 . TRP . 10194 1 54 . PHE . 10194 1 55 . PRO . 10194 1 56 . ALA . 10194 1 57 . LYS . 10194 1 58 . PHE . 10194 1 59 . VAL . 10194 1 60 . GLU . 10194 1 61 . VAL . 10194 1 62 . LEU . 10194 1 63 . ASP . 10194 1 64 . GLU . 10194 1 65 . ARG . 10194 1 66 . SER . 10194 1 67 . LYS . 10194 1 68 . GLU . 10194 1 69 . TYR . 10194 1 70 . SER . 10194 1 71 . ILE . 10194 1 72 . ALA . 10194 1 73 . SER . 10194 1 74 . GLY . 10194 1 75 . PRO . 10194 1 76 . SER . 10194 1 77 . SER . 10194 1 78 . GLY . 10194 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10194 1 . SER 2 2 10194 1 . SER 3 3 10194 1 . GLY 4 4 10194 1 . SER 5 5 10194 1 . SER 6 6 10194 1 . GLY 7 7 10194 1 . ARG 8 8 10194 1 . ARG 9 9 10194 1 . ALA 10 10 10194 1 . LYS 11 11 10194 1 . ALA 12 12 10194 1 . LEU 13 13 10194 1 . LEU 14 14 10194 1 . ASP 15 15 10194 1 . PHE 16 16 10194 1 . GLU 17 17 10194 1 . ARG 18 18 10194 1 . HIS 19 19 10194 1 . ASP 20 20 10194 1 . ASP 21 21 10194 1 . ASP 22 22 10194 1 . GLU 23 23 10194 1 . LEU 24 24 10194 1 . GLY 25 25 10194 1 . PHE 26 26 10194 1 . ARG 27 27 10194 1 . LYS 28 28 10194 1 . ASN 29 29 10194 1 . ASP 30 30 10194 1 . ILE 31 31 10194 1 . ILE 32 32 10194 1 . THR 33 33 10194 1 . ILE 34 34 10194 1 . ILE 35 35 10194 1 . SER 36 36 10194 1 . GLN 37 37 10194 1 . LYS 38 38 10194 1 . ASP 39 39 10194 1 . GLU 40 40 10194 1 . HIS 41 41 10194 1 . CYS 42 42 10194 1 . TRP 43 43 10194 1 . VAL 44 44 10194 1 . GLY 45 45 10194 1 . GLU 46 46 10194 1 . LEU 47 47 10194 1 . ASN 48 48 10194 1 . GLY 49 49 10194 1 . LEU 50 50 10194 1 . ARG 51 51 10194 1 . GLY 52 52 10194 1 . TRP 53 53 10194 1 . PHE 54 54 10194 1 . PRO 55 55 10194 1 . ALA 56 56 10194 1 . LYS 57 57 10194 1 . PHE 58 58 10194 1 . VAL 59 59 10194 1 . GLU 60 60 10194 1 . VAL 61 61 10194 1 . LEU 62 62 10194 1 . ASP 63 63 10194 1 . GLU 64 64 10194 1 . ARG 65 65 10194 1 . SER 66 66 10194 1 . LYS 67 67 10194 1 . GLU 68 68 10194 1 . TYR 69 69 10194 1 . SER 70 70 10194 1 . ILE 71 71 10194 1 . ALA 72 72 10194 1 . SER 73 73 10194 1 . GLY 74 74 10194 1 . PRO 75 75 10194 1 . SER 76 76 10194 1 . SER 77 77 10194 1 . GLY 78 78 10194 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10194 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10194 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10194 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060417-23 . . . . . . 10194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.00 . . mM . . . . 10194 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10194 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10194 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10194 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10194 1 6 ZnCl2 . . . . . . salt 0.05 . . mM . . . . 10194 1 7 IDA . . . . . . salt 1 . . mM . . . . 10194 1 8 H2O . . . . . . solvent 90 . . % . . . . 10194 1 9 D2O . . . . . . solvent 10 . . % . . . . 10194 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10194 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10194 1 pH 7.0 0.05 pH 10194 1 pressure 1 0.001 atm 10194 1 temperature 296 0.1 K 10194 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10194 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10194 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10194 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10194 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10194 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10194 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10194 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10194 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10194 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10194 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10194 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10194 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10194 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10194 5 'structure solution' 10194 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10194 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10194 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10194 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10194 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10194 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10194 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10194 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10194 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10194 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10194 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER CA C 13 58.690 0.300 . 1 . . . . 6 SER CA . 10194 1 2 . 1 1 6 6 SER HA H 1 4.411 0.030 . 1 . . . . 6 SER HA . 10194 1 3 . 1 1 7 7 GLY N N 15 110.826 0.300 . 1 . . . . 7 GLY N . 10194 1 4 . 1 1 7 7 GLY H H 1 8.436 0.030 . 1 . . . . 7 GLY H . 10194 1 5 . 1 1 7 7 GLY CA C 13 45.315 0.300 . 1 . . . . 7 GLY CA . 10194 1 6 . 1 1 7 7 GLY HA2 H 1 4.029 0.030 . 2 . . . . 7 GLY HA2 . 10194 1 7 . 1 1 7 7 GLY HA3 H 1 3.918 0.030 . 2 . . . . 7 GLY HA3 . 10194 1 8 . 1 1 7 7 GLY C C 13 173.788 0.300 . 1 . . . . 7 GLY C . 10194 1 9 . 1 1 8 8 ARG N N 15 120.458 0.300 . 1 . . . . 8 ARG N . 10194 1 10 . 1 1 8 8 ARG H H 1 8.272 0.030 . 1 . . . . 8 ARG H . 10194 1 11 . 1 1 8 8 ARG CA C 13 55.715 0.300 . 1 . . . . 8 ARG CA . 10194 1 12 . 1 1 8 8 ARG HA H 1 4.500 0.030 . 1 . . . . 8 ARG HA . 10194 1 13 . 1 1 8 8 ARG CB C 13 31.541 0.300 . 1 . . . . 8 ARG CB . 10194 1 14 . 1 1 8 8 ARG HB2 H 1 1.718 0.030 . 2 . . . . 8 ARG HB2 . 10194 1 15 . 1 1 8 8 ARG HB3 H 1 1.841 0.030 . 2 . . . . 8 ARG HB3 . 10194 1 16 . 1 1 8 8 ARG CG C 13 27.168 0.300 . 1 . . . . 8 ARG CG . 10194 1 17 . 1 1 8 8 ARG HG2 H 1 1.680 0.030 . 1 . . . . 8 ARG HG2 . 10194 1 18 . 1 1 8 8 ARG HG3 H 1 1.680 0.030 . 1 . . . . 8 ARG HG3 . 10194 1 19 . 1 1 8 8 ARG CD C 13 43.327 0.300 . 1 . . . . 8 ARG CD . 10194 1 20 . 1 1 8 8 ARG HD2 H 1 3.129 0.030 . 2 . . . . 8 ARG HD2 . 10194 1 21 . 1 1 8 8 ARG HD3 H 1 3.091 0.030 . 2 . . . . 8 ARG HD3 . 10194 1 22 . 1 1 8 8 ARG C C 13 175.201 0.300 . 1 . . . . 8 ARG C . 10194 1 23 . 1 1 9 9 ARG N N 15 121.537 0.300 . 1 . . . . 9 ARG N . 10194 1 24 . 1 1 9 9 ARG H H 1 8.879 0.030 . 1 . . . . 9 ARG H . 10194 1 25 . 1 1 9 9 ARG CA C 13 54.737 0.300 . 1 . . . . 9 ARG CA . 10194 1 26 . 1 1 9 9 ARG HA H 1 5.288 0.030 . 1 . . . . 9 ARG HA . 10194 1 27 . 1 1 9 9 ARG CB C 13 34.064 0.300 . 1 . . . . 9 ARG CB . 10194 1 28 . 1 1 9 9 ARG HB2 H 1 1.702 0.030 . 2 . . . . 9 ARG HB2 . 10194 1 29 . 1 1 9 9 ARG HB3 H 1 1.600 0.030 . 2 . . . . 9 ARG HB3 . 10194 1 30 . 1 1 9 9 ARG CG C 13 27.568 0.300 . 1 . . . . 9 ARG CG . 10194 1 31 . 1 1 9 9 ARG HG2 H 1 1.655 0.030 . 2 . . . . 9 ARG HG2 . 10194 1 32 . 1 1 9 9 ARG HG3 H 1 1.607 0.030 . 2 . . . . 9 ARG HG3 . 10194 1 33 . 1 1 9 9 ARG CD C 13 43.669 0.300 . 1 . . . . 9 ARG CD . 10194 1 34 . 1 1 9 9 ARG HD2 H 1 3.142 0.030 . 2 . . . . 9 ARG HD2 . 10194 1 35 . 1 1 9 9 ARG HD3 H 1 2.992 0.030 . 2 . . . . 9 ARG HD3 . 10194 1 36 . 1 1 9 9 ARG C C 13 174.910 0.300 . 1 . . . . 9 ARG C . 10194 1 37 . 1 1 10 10 ALA N N 15 122.000 0.300 . 1 . . . . 10 ALA N . 10194 1 38 . 1 1 10 10 ALA H H 1 9.200 0.030 . 1 . . . . 10 ALA H . 10194 1 39 . 1 1 10 10 ALA CA C 13 50.229 0.300 . 1 . . . . 10 ALA CA . 10194 1 40 . 1 1 10 10 ALA HA H 1 5.143 0.030 . 1 . . . . 10 ALA HA . 10194 1 41 . 1 1 10 10 ALA CB C 13 23.552 0.300 . 1 . . . . 10 ALA CB . 10194 1 42 . 1 1 10 10 ALA HB1 H 1 1.140 0.030 . 1 . . . . 10 ALA HB . 10194 1 43 . 1 1 10 10 ALA HB2 H 1 1.140 0.030 . 1 . . . . 10 ALA HB . 10194 1 44 . 1 1 10 10 ALA HB3 H 1 1.140 0.030 . 1 . . . . 10 ALA HB . 10194 1 45 . 1 1 10 10 ALA C C 13 173.920 0.300 . 1 . . . . 10 ALA C . 10194 1 46 . 1 1 11 11 LYS N N 15 121.984 0.300 . 1 . . . . 11 LYS N . 10194 1 47 . 1 1 11 11 LYS H H 1 8.962 0.030 . 1 . . . . 11 LYS H . 10194 1 48 . 1 1 11 11 LYS CA C 13 53.936 0.300 . 1 . . . . 11 LYS CA . 10194 1 49 . 1 1 11 11 LYS HA H 1 5.043 0.030 . 1 . . . . 11 LYS HA . 10194 1 50 . 1 1 11 11 LYS CB C 13 35.705 0.300 . 1 . . . . 11 LYS CB . 10194 1 51 . 1 1 11 11 LYS HB2 H 1 1.472 0.030 . 2 . . . . 11 LYS HB2 . 10194 1 52 . 1 1 11 11 LYS HB3 H 1 1.800 0.030 . 2 . . . . 11 LYS HB3 . 10194 1 53 . 1 1 11 11 LYS CG C 13 24.673 0.300 . 1 . . . . 11 LYS CG . 10194 1 54 . 1 1 11 11 LYS HG2 H 1 1.275 0.030 . 1 . . . . 11 LYS HG2 . 10194 1 55 . 1 1 11 11 LYS HG3 H 1 1.275 0.030 . 1 . . . . 11 LYS HG3 . 10194 1 56 . 1 1 11 11 LYS CD C 13 29.448 0.300 . 1 . . . . 11 LYS CD . 10194 1 57 . 1 1 11 11 LYS HD2 H 1 1.725 0.030 . 2 . . . . 11 LYS HD2 . 10194 1 58 . 1 1 11 11 LYS HD3 H 1 1.661 0.030 . 2 . . . . 11 LYS HD3 . 10194 1 59 . 1 1 11 11 LYS CE C 13 41.809 0.300 . 1 . . . . 11 LYS CE . 10194 1 60 . 1 1 11 11 LYS HE2 H 1 2.932 0.030 . 2 . . . . 11 LYS HE2 . 10194 1 61 . 1 1 11 11 LYS HE3 H 1 2.867 0.030 . 2 . . . . 11 LYS HE3 . 10194 1 62 . 1 1 11 11 LYS C C 13 176.193 0.300 . 1 . . . . 11 LYS C . 10194 1 63 . 1 1 12 12 ALA N N 15 128.384 0.300 . 1 . . . . 12 ALA N . 10194 1 64 . 1 1 12 12 ALA H H 1 8.974 0.030 . 1 . . . . 12 ALA H . 10194 1 65 . 1 1 12 12 ALA CA C 13 52.878 0.300 . 1 . . . . 12 ALA CA . 10194 1 66 . 1 1 12 12 ALA HA H 1 4.271 0.030 . 1 . . . . 12 ALA HA . 10194 1 67 . 1 1 12 12 ALA CB C 13 21.024 0.300 . 1 . . . . 12 ALA CB . 10194 1 68 . 1 1 12 12 ALA HB1 H 1 1.390 0.030 . 1 . . . . 12 ALA HB . 10194 1 69 . 1 1 12 12 ALA HB2 H 1 1.390 0.030 . 1 . . . . 12 ALA HB . 10194 1 70 . 1 1 12 12 ALA HB3 H 1 1.390 0.030 . 1 . . . . 12 ALA HB . 10194 1 71 . 1 1 12 12 ALA C C 13 179.524 0.300 . 1 . . . . 12 ALA C . 10194 1 72 . 1 1 13 13 LEU N N 15 126.125 0.300 . 1 . . . . 13 LEU N . 10194 1 73 . 1 1 13 13 LEU H H 1 9.490 0.030 . 1 . . . . 13 LEU H . 10194 1 74 . 1 1 13 13 LEU CA C 13 55.697 0.300 . 1 . . . . 13 LEU CA . 10194 1 75 . 1 1 13 13 LEU HA H 1 4.258 0.030 . 1 . . . . 13 LEU HA . 10194 1 76 . 1 1 13 13 LEU CB C 13 43.073 0.300 . 1 . . . . 13 LEU CB . 10194 1 77 . 1 1 13 13 LEU HB2 H 1 1.566 0.030 . 1 . . . . 13 LEU HB2 . 10194 1 78 . 1 1 13 13 LEU HB3 H 1 1.566 0.030 . 1 . . . . 13 LEU HB3 . 10194 1 79 . 1 1 13 13 LEU CG C 13 27.007 0.300 . 1 . . . . 13 LEU CG . 10194 1 80 . 1 1 13 13 LEU HG H 1 1.565 0.030 . 1 . . . . 13 LEU HG . 10194 1 81 . 1 1 13 13 LEU CD1 C 13 25.461 0.300 . 2 . . . . 13 LEU CD1 . 10194 1 82 . 1 1 13 13 LEU HD11 H 1 0.833 0.030 . 1 . . . . 13 LEU HD1 . 10194 1 83 . 1 1 13 13 LEU HD12 H 1 0.833 0.030 . 1 . . . . 13 LEU HD1 . 10194 1 84 . 1 1 13 13 LEU HD13 H 1 0.833 0.030 . 1 . . . . 13 LEU HD1 . 10194 1 85 . 1 1 13 13 LEU CD2 C 13 22.153 0.300 . 2 . . . . 13 LEU CD2 . 10194 1 86 . 1 1 13 13 LEU HD21 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 10194 1 87 . 1 1 13 13 LEU HD22 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 10194 1 88 . 1 1 13 13 LEU HD23 H 1 0.864 0.030 . 1 . . . . 13 LEU HD2 . 10194 1 89 . 1 1 13 13 LEU C C 13 175.705 0.300 . 1 . . . . 13 LEU C . 10194 1 90 . 1 1 14 14 LEU N N 15 116.229 0.300 . 1 . . . . 14 LEU N . 10194 1 91 . 1 1 14 14 LEU H H 1 7.638 0.030 . 1 . . . . 14 LEU H . 10194 1 92 . 1 1 14 14 LEU CA C 13 53.715 0.300 . 1 . . . . 14 LEU CA . 10194 1 93 . 1 1 14 14 LEU HA H 1 4.436 0.030 . 1 . . . . 14 LEU HA . 10194 1 94 . 1 1 14 14 LEU CB C 13 45.286 0.300 . 1 . . . . 14 LEU CB . 10194 1 95 . 1 1 14 14 LEU HB2 H 1 1.735 0.030 . 2 . . . . 14 LEU HB2 . 10194 1 96 . 1 1 14 14 LEU HB3 H 1 1.465 0.030 . 2 . . . . 14 LEU HB3 . 10194 1 97 . 1 1 14 14 LEU CG C 13 26.551 0.300 . 1 . . . . 14 LEU CG . 10194 1 98 . 1 1 14 14 LEU HG H 1 1.430 0.030 . 1 . . . . 14 LEU HG . 10194 1 99 . 1 1 14 14 LEU CD1 C 13 25.072 0.300 . 2 . . . . 14 LEU CD1 . 10194 1 100 . 1 1 14 14 LEU HD11 H 1 0.428 0.030 . 1 . . . . 14 LEU HD1 . 10194 1 101 . 1 1 14 14 LEU HD12 H 1 0.428 0.030 . 1 . . . . 14 LEU HD1 . 10194 1 102 . 1 1 14 14 LEU HD13 H 1 0.428 0.030 . 1 . . . . 14 LEU HD1 . 10194 1 103 . 1 1 14 14 LEU CD2 C 13 25.061 0.300 . 2 . . . . 14 LEU CD2 . 10194 1 104 . 1 1 14 14 LEU HD21 H 1 0.695 0.030 . 1 . . . . 14 LEU HD2 . 10194 1 105 . 1 1 14 14 LEU HD22 H 1 0.695 0.030 . 1 . . . . 14 LEU HD2 . 10194 1 106 . 1 1 14 14 LEU HD23 H 1 0.695 0.030 . 1 . . . . 14 LEU HD2 . 10194 1 107 . 1 1 14 14 LEU C C 13 173.987 0.300 . 1 . . . . 14 LEU C . 10194 1 108 . 1 1 15 15 ASP N N 15 116.528 0.300 . 1 . . . . 15 ASP N . 10194 1 109 . 1 1 15 15 ASP H H 1 8.047 0.030 . 1 . . . . 15 ASP H . 10194 1 110 . 1 1 15 15 ASP CA C 13 54.712 0.300 . 1 . . . . 15 ASP CA . 10194 1 111 . 1 1 15 15 ASP HA H 1 4.628 0.030 . 1 . . . . 15 ASP HA . 10194 1 112 . 1 1 15 15 ASP CB C 13 41.437 0.300 . 1 . . . . 15 ASP CB . 10194 1 113 . 1 1 15 15 ASP HB2 H 1 2.615 0.030 . 1 . . . . 15 ASP HB2 . 10194 1 114 . 1 1 15 15 ASP HB3 H 1 2.615 0.030 . 1 . . . . 15 ASP HB3 . 10194 1 115 . 1 1 16 16 PHE N N 15 123.405 0.300 . 1 . . . . 16 PHE N . 10194 1 116 . 1 1 16 16 PHE H H 1 8.414 0.030 . 1 . . . . 16 PHE H . 10194 1 117 . 1 1 16 16 PHE CA C 13 56.555 0.300 . 1 . . . . 16 PHE CA . 10194 1 118 . 1 1 16 16 PHE HA H 1 4.576 0.030 . 1 . . . . 16 PHE HA . 10194 1 119 . 1 1 16 16 PHE CB C 13 41.647 0.300 . 1 . . . . 16 PHE CB . 10194 1 120 . 1 1 16 16 PHE HB2 H 1 1.243 0.030 . 2 . . . . 16 PHE HB2 . 10194 1 121 . 1 1 16 16 PHE HB3 H 1 2.210 0.030 . 2 . . . . 16 PHE HB3 . 10194 1 122 . 1 1 16 16 PHE CD1 C 13 132.478 0.300 . 1 . . . . 16 PHE CD1 . 10194 1 123 . 1 1 16 16 PHE HD1 H 1 7.050 0.030 . 1 . . . . 16 PHE HD1 . 10194 1 124 . 1 1 16 16 PHE CD2 C 13 132.478 0.300 . 1 . . . . 16 PHE CD2 . 10194 1 125 . 1 1 16 16 PHE HD2 H 1 7.050 0.030 . 1 . . . . 16 PHE HD2 . 10194 1 126 . 1 1 16 16 PHE CE1 C 13 131.081 0.300 . 1 . . . . 16 PHE CE1 . 10194 1 127 . 1 1 16 16 PHE HE1 H 1 7.204 0.030 . 1 . . . . 16 PHE HE1 . 10194 1 128 . 1 1 16 16 PHE CE2 C 13 131.081 0.300 . 1 . . . . 16 PHE CE2 . 10194 1 129 . 1 1 16 16 PHE HE2 H 1 7.204 0.030 . 1 . . . . 16 PHE HE2 . 10194 1 130 . 1 1 16 16 PHE CZ C 13 129.508 0.300 . 1 . . . . 16 PHE CZ . 10194 1 131 . 1 1 16 16 PHE HZ H 1 7.081 0.030 . 1 . . . . 16 PHE HZ . 10194 1 132 . 1 1 17 17 GLU N N 15 127.173 0.300 . 1 . . . . 17 GLU N . 10194 1 133 . 1 1 17 17 GLU H H 1 7.775 0.030 . 1 . . . . 17 GLU H . 10194 1 134 . 1 1 17 17 GLU CA C 13 54.469 0.300 . 1 . . . . 17 GLU CA . 10194 1 135 . 1 1 17 17 GLU HA H 1 4.025 0.030 . 1 . . . . 17 GLU HA . 10194 1 136 . 1 1 17 17 GLU CB C 13 30.119 0.300 . 1 . . . . 17 GLU CB . 10194 1 137 . 1 1 17 17 GLU HB2 H 1 1.570 0.030 . 1 . . . . 17 GLU HB2 . 10194 1 138 . 1 1 17 17 GLU HB3 H 1 1.570 0.030 . 1 . . . . 17 GLU HB3 . 10194 1 139 . 1 1 17 17 GLU CG C 13 35.980 0.300 . 1 . . . . 17 GLU CG . 10194 1 140 . 1 1 17 17 GLU HG2 H 1 2.010 0.030 . 2 . . . . 17 GLU HG2 . 10194 1 141 . 1 1 17 17 GLU HG3 H 1 1.888 0.030 . 2 . . . . 17 GLU HG3 . 10194 1 142 . 1 1 17 17 GLU C C 13 174.327 0.300 . 1 . . . . 17 GLU C . 10194 1 143 . 1 1 18 18 ARG N N 15 123.112 0.300 . 1 . . . . 18 ARG N . 10194 1 144 . 1 1 18 18 ARG H H 1 7.721 0.030 . 1 . . . . 18 ARG H . 10194 1 145 . 1 1 18 18 ARG CA C 13 55.738 0.300 . 1 . . . . 18 ARG CA . 10194 1 146 . 1 1 18 18 ARG HA H 1 3.665 0.030 . 1 . . . . 18 ARG HA . 10194 1 147 . 1 1 18 18 ARG CB C 13 30.846 0.300 . 1 . . . . 18 ARG CB . 10194 1 148 . 1 1 18 18 ARG HB2 H 1 1.643 0.030 . 2 . . . . 18 ARG HB2 . 10194 1 149 . 1 1 18 18 ARG HB3 H 1 1.404 0.030 . 2 . . . . 18 ARG HB3 . 10194 1 150 . 1 1 18 18 ARG CG C 13 26.253 0.300 . 1 . . . . 18 ARG CG . 10194 1 151 . 1 1 18 18 ARG HG2 H 1 1.472 0.030 . 2 . . . . 18 ARG HG2 . 10194 1 152 . 1 1 18 18 ARG HG3 H 1 1.366 0.030 . 2 . . . . 18 ARG HG3 . 10194 1 153 . 1 1 18 18 ARG CD C 13 44.223 0.300 . 1 . . . . 18 ARG CD . 10194 1 154 . 1 1 18 18 ARG HD2 H 1 3.194 0.030 . 2 . . . . 18 ARG HD2 . 10194 1 155 . 1 1 18 18 ARG HD3 H 1 3.101 0.030 . 2 . . . . 18 ARG HD3 . 10194 1 156 . 1 1 18 18 ARG C C 13 175.954 0.300 . 1 . . . . 18 ARG C . 10194 1 157 . 1 1 19 19 HIS N N 15 121.992 0.300 . 1 . . . . 19 HIS N . 10194 1 158 . 1 1 19 19 HIS H H 1 9.200 0.030 . 1 . . . . 19 HIS H . 10194 1 159 . 1 1 19 19 HIS CA C 13 56.774 0.300 . 1 . . . . 19 HIS CA . 10194 1 160 . 1 1 19 19 HIS HA H 1 4.612 0.030 . 1 . . . . 19 HIS HA . 10194 1 161 . 1 1 19 19 HIS CB C 13 30.061 0.300 . 1 . . . . 19 HIS CB . 10194 1 162 . 1 1 19 19 HIS HB2 H 1 3.182 0.030 . 2 . . . . 19 HIS HB2 . 10194 1 163 . 1 1 19 19 HIS HB3 H 1 3.318 0.030 . 2 . . . . 19 HIS HB3 . 10194 1 164 . 1 1 19 19 HIS CD2 C 13 119.957 0.300 . 1 . . . . 19 HIS CD2 . 10194 1 165 . 1 1 19 19 HIS HD2 H 1 7.200 0.030 . 1 . . . . 19 HIS HD2 . 10194 1 166 . 1 1 19 19 HIS CE1 C 13 136.307 0.300 . 1 . . . . 19 HIS CE1 . 10194 1 167 . 1 1 19 19 HIS HE1 H 1 8.267 0.030 . 1 . . . . 19 HIS HE1 . 10194 1 168 . 1 1 19 19 HIS C C 13 174.151 0.300 . 1 . . . . 19 HIS C . 10194 1 169 . 1 1 20 20 ASP N N 15 119.946 0.300 . 1 . . . . 20 ASP N . 10194 1 170 . 1 1 20 20 ASP H H 1 8.160 0.030 . 1 . . . . 20 ASP H . 10194 1 171 . 1 1 20 20 ASP CA C 13 53.371 0.300 . 1 . . . . 20 ASP CA . 10194 1 172 . 1 1 20 20 ASP HA H 1 4.785 0.030 . 1 . . . . 20 ASP HA . 10194 1 173 . 1 1 20 20 ASP CB C 13 43.492 0.300 . 1 . . . . 20 ASP CB . 10194 1 174 . 1 1 20 20 ASP HB2 H 1 2.815 0.030 . 2 . . . . 20 ASP HB2 . 10194 1 175 . 1 1 20 20 ASP HB3 H 1 2.703 0.030 . 2 . . . . 20 ASP HB3 . 10194 1 176 . 1 1 20 20 ASP C C 13 176.571 0.300 . 1 . . . . 20 ASP C . 10194 1 177 . 1 1 21 21 ASP N N 15 119.329 0.300 . 1 . . . . 21 ASP N . 10194 1 178 . 1 1 21 21 ASP H H 1 8.686 0.030 . 1 . . . . 21 ASP H . 10194 1 179 . 1 1 21 21 ASP CA C 13 56.641 0.300 . 1 . . . . 21 ASP CA . 10194 1 180 . 1 1 21 21 ASP HA H 1 4.439 0.030 . 1 . . . . 21 ASP HA . 10194 1 181 . 1 1 21 21 ASP CB C 13 40.977 0.300 . 1 . . . . 21 ASP CB . 10194 1 182 . 1 1 21 21 ASP HB2 H 1 2.778 0.030 . 2 . . . . 21 ASP HB2 . 10194 1 183 . 1 1 21 21 ASP HB3 H 1 2.666 0.030 . 2 . . . . 21 ASP HB3 . 10194 1 184 . 1 1 21 21 ASP C C 13 176.619 0.300 . 1 . . . . 21 ASP C . 10194 1 185 . 1 1 22 22 ASP N N 15 116.501 0.300 . 1 . . . . 22 ASP N . 10194 1 186 . 1 1 22 22 ASP H H 1 8.702 0.030 . 1 . . . . 22 ASP H . 10194 1 187 . 1 1 22 22 ASP CA C 13 54.535 0.300 . 1 . . . . 22 ASP CA . 10194 1 188 . 1 1 22 22 ASP HA H 1 4.769 0.030 . 1 . . . . 22 ASP HA . 10194 1 189 . 1 1 22 22 ASP CB C 13 40.833 0.300 . 1 . . . . 22 ASP CB . 10194 1 190 . 1 1 22 22 ASP HB2 H 1 2.684 0.030 . 2 . . . . 22 ASP HB2 . 10194 1 191 . 1 1 22 22 ASP HB3 H 1 2.883 0.030 . 2 . . . . 22 ASP HB3 . 10194 1 192 . 1 1 22 22 ASP C C 13 176.139 0.300 . 1 . . . . 22 ASP C . 10194 1 193 . 1 1 23 23 GLU N N 15 119.696 0.300 . 1 . . . . 23 GLU N . 10194 1 194 . 1 1 23 23 GLU H H 1 7.540 0.030 . 1 . . . . 23 GLU H . 10194 1 195 . 1 1 23 23 GLU CA C 13 55.398 0.300 . 1 . . . . 23 GLU CA . 10194 1 196 . 1 1 23 23 GLU HA H 1 4.519 0.030 . 1 . . . . 23 GLU HA . 10194 1 197 . 1 1 23 23 GLU CB C 13 32.584 0.300 . 1 . . . . 23 GLU CB . 10194 1 198 . 1 1 23 23 GLU HB2 H 1 2.181 0.030 . 2 . . . . 23 GLU HB2 . 10194 1 199 . 1 1 23 23 GLU HB3 H 1 1.905 0.030 . 2 . . . . 23 GLU HB3 . 10194 1 200 . 1 1 23 23 GLU CG C 13 36.867 0.300 . 1 . . . . 23 GLU CG . 10194 1 201 . 1 1 23 23 GLU HG2 H 1 2.218 0.030 . 2 . . . . 23 GLU HG2 . 10194 1 202 . 1 1 23 23 GLU HG3 H 1 1.848 0.030 . 2 . . . . 23 GLU HG3 . 10194 1 203 . 1 1 23 23 GLU C C 13 175.760 0.300 . 1 . . . . 23 GLU C . 10194 1 204 . 1 1 24 24 LEU N N 15 125.257 0.300 . 1 . . . . 24 LEU N . 10194 1 205 . 1 1 24 24 LEU H H 1 8.766 0.030 . 1 . . . . 24 LEU H . 10194 1 206 . 1 1 24 24 LEU CA C 13 53.525 0.300 . 1 . . . . 24 LEU CA . 10194 1 207 . 1 1 24 24 LEU HA H 1 4.410 0.030 . 1 . . . . 24 LEU HA . 10194 1 208 . 1 1 24 24 LEU CB C 13 44.685 0.300 . 1 . . . . 24 LEU CB . 10194 1 209 . 1 1 24 24 LEU HB2 H 1 1.919 0.030 . 2 . . . . 24 LEU HB2 . 10194 1 210 . 1 1 24 24 LEU HB3 H 1 0.962 0.030 . 2 . . . . 24 LEU HB3 . 10194 1 211 . 1 1 24 24 LEU CG C 13 26.698 0.300 . 1 . . . . 24 LEU CG . 10194 1 212 . 1 1 24 24 LEU HG H 1 1.712 0.030 . 1 . . . . 24 LEU HG . 10194 1 213 . 1 1 24 24 LEU CD1 C 13 23.947 0.300 . 2 . . . . 24 LEU CD1 . 10194 1 214 . 1 1 24 24 LEU HD11 H 1 0.952 0.030 . 1 . . . . 24 LEU HD1 . 10194 1 215 . 1 1 24 24 LEU HD12 H 1 0.952 0.030 . 1 . . . . 24 LEU HD1 . 10194 1 216 . 1 1 24 24 LEU HD13 H 1 0.952 0.030 . 1 . . . . 24 LEU HD1 . 10194 1 217 . 1 1 24 24 LEU CD2 C 13 26.317 0.300 . 2 . . . . 24 LEU CD2 . 10194 1 218 . 1 1 24 24 LEU HD21 H 1 0.758 0.030 . 1 . . . . 24 LEU HD2 . 10194 1 219 . 1 1 24 24 LEU HD22 H 1 0.758 0.030 . 1 . . . . 24 LEU HD2 . 10194 1 220 . 1 1 24 24 LEU HD23 H 1 0.758 0.030 . 1 . . . . 24 LEU HD2 . 10194 1 221 . 1 1 24 24 LEU C C 13 173.987 0.300 . 1 . . . . 24 LEU C . 10194 1 222 . 1 1 25 25 GLY N N 15 107.345 0.300 . 1 . . . . 25 GLY N . 10194 1 223 . 1 1 25 25 GLY H H 1 7.584 0.030 . 1 . . . . 25 GLY H . 10194 1 224 . 1 1 25 25 GLY CA C 13 44.096 0.300 . 1 . . . . 25 GLY CA . 10194 1 225 . 1 1 25 25 GLY HA2 H 1 3.361 0.030 . 2 . . . . 25 GLY HA2 . 10194 1 226 . 1 1 25 25 GLY HA3 H 1 4.260 0.030 . 2 . . . . 25 GLY HA3 . 10194 1 227 . 1 1 25 25 GLY C C 13 173.720 0.300 . 1 . . . . 25 GLY C . 10194 1 228 . 1 1 26 26 PHE N N 15 114.043 0.300 . 1 . . . . 26 PHE N . 10194 1 229 . 1 1 26 26 PHE H H 1 8.330 0.030 . 1 . . . . 26 PHE H . 10194 1 230 . 1 1 26 26 PHE CA C 13 56.440 0.300 . 1 . . . . 26 PHE CA . 10194 1 231 . 1 1 26 26 PHE HA H 1 4.749 0.030 . 1 . . . . 26 PHE HA . 10194 1 232 . 1 1 26 26 PHE CB C 13 40.494 0.300 . 1 . . . . 26 PHE CB . 10194 1 233 . 1 1 26 26 PHE HB2 H 1 3.315 0.030 . 2 . . . . 26 PHE HB2 . 10194 1 234 . 1 1 26 26 PHE HB3 H 1 3.173 0.030 . 2 . . . . 26 PHE HB3 . 10194 1 235 . 1 1 26 26 PHE CD1 C 13 133.212 0.300 . 1 . . . . 26 PHE CD1 . 10194 1 236 . 1 1 26 26 PHE HD1 H 1 6.738 0.030 . 1 . . . . 26 PHE HD1 . 10194 1 237 . 1 1 26 26 PHE CD2 C 13 133.212 0.300 . 1 . . . . 26 PHE CD2 . 10194 1 238 . 1 1 26 26 PHE HD2 H 1 6.738 0.030 . 1 . . . . 26 PHE HD2 . 10194 1 239 . 1 1 26 26 PHE CE1 C 13 131.179 0.300 . 1 . . . . 26 PHE CE1 . 10194 1 240 . 1 1 26 26 PHE HE1 H 1 7.020 0.030 . 1 . . . . 26 PHE HE1 . 10194 1 241 . 1 1 26 26 PHE CE2 C 13 131.179 0.300 . 1 . . . . 26 PHE CE2 . 10194 1 242 . 1 1 26 26 PHE HE2 H 1 7.020 0.030 . 1 . . . . 26 PHE HE2 . 10194 1 243 . 1 1 26 26 PHE CZ C 13 128.146 0.300 . 1 . . . . 26 PHE CZ . 10194 1 244 . 1 1 26 26 PHE HZ H 1 6.765 0.030 . 1 . . . . 26 PHE HZ . 10194 1 245 . 1 1 26 26 PHE C C 13 174.820 0.300 . 1 . . . . 26 PHE C . 10194 1 246 . 1 1 27 27 ARG N N 15 120.928 0.300 . 1 . . . . 27 ARG N . 10194 1 247 . 1 1 27 27 ARG H H 1 9.597 0.030 . 1 . . . . 27 ARG H . 10194 1 248 . 1 1 27 27 ARG CA C 13 53.054 0.300 . 1 . . . . 27 ARG CA . 10194 1 249 . 1 1 27 27 ARG HA H 1 4.974 0.030 . 1 . . . . 27 ARG HA . 10194 1 250 . 1 1 27 27 ARG CB C 13 32.687 0.300 . 1 . . . . 27 ARG CB . 10194 1 251 . 1 1 27 27 ARG HB2 H 1 1.753 0.030 . 2 . . . . 27 ARG HB2 . 10194 1 252 . 1 1 27 27 ARG HB3 H 1 1.824 0.030 . 2 . . . . 27 ARG HB3 . 10194 1 253 . 1 1 27 27 ARG CG C 13 26.872 0.300 . 1 . . . . 27 ARG CG . 10194 1 254 . 1 1 27 27 ARG HG2 H 1 1.567 0.030 . 2 . . . . 27 ARG HG2 . 10194 1 255 . 1 1 27 27 ARG HG3 H 1 1.699 0.030 . 2 . . . . 27 ARG HG3 . 10194 1 256 . 1 1 27 27 ARG CD C 13 43.047 0.300 . 1 . . . . 27 ARG CD . 10194 1 257 . 1 1 27 27 ARG HD2 H 1 3.160 0.030 . 1 . . . . 27 ARG HD2 . 10194 1 258 . 1 1 27 27 ARG HD3 H 1 3.160 0.030 . 1 . . . . 27 ARG HD3 . 10194 1 259 . 1 1 27 27 ARG C C 13 175.511 0.300 . 1 . . . . 27 ARG C . 10194 1 260 . 1 1 28 28 LYS N N 15 120.682 0.300 . 1 . . . . 28 LYS N . 10194 1 261 . 1 1 28 28 LYS H H 1 8.922 0.030 . 1 . . . . 28 LYS H . 10194 1 262 . 1 1 28 28 LYS CA C 13 59.064 0.300 . 1 . . . . 28 LYS CA . 10194 1 263 . 1 1 28 28 LYS HA H 1 3.220 0.030 . 1 . . . . 28 LYS HA . 10194 1 264 . 1 1 28 28 LYS CB C 13 32.826 0.300 . 1 . . . . 28 LYS CB . 10194 1 265 . 1 1 28 28 LYS HB2 H 1 1.610 0.030 . 2 . . . . 28 LYS HB2 . 10194 1 266 . 1 1 28 28 LYS HB3 H 1 1.466 0.030 . 2 . . . . 28 LYS HB3 . 10194 1 267 . 1 1 28 28 LYS CG C 13 24.820 0.300 . 1 . . . . 28 LYS CG . 10194 1 268 . 1 1 28 28 LYS HG2 H 1 1.201 0.030 . 2 . . . . 28 LYS HG2 . 10194 1 269 . 1 1 28 28 LYS HG3 H 1 1.141 0.030 . 2 . . . . 28 LYS HG3 . 10194 1 270 . 1 1 28 28 LYS CD C 13 29.758 0.300 . 1 . . . . 28 LYS CD . 10194 1 271 . 1 1 28 28 LYS HD2 H 1 1.681 0.030 . 1 . . . . 28 LYS HD2 . 10194 1 272 . 1 1 28 28 LYS HD3 H 1 1.681 0.030 . 1 . . . . 28 LYS HD3 . 10194 1 273 . 1 1 28 28 LYS CE C 13 42.138 0.300 . 1 . . . . 28 LYS CE . 10194 1 274 . 1 1 28 28 LYS HE2 H 1 3.018 0.030 . 1 . . . . 28 LYS HE2 . 10194 1 275 . 1 1 28 28 LYS HE3 H 1 3.018 0.030 . 1 . . . . 28 LYS HE3 . 10194 1 276 . 1 1 28 28 LYS C C 13 177.019 0.300 . 1 . . . . 28 LYS C . 10194 1 277 . 1 1 29 29 ASN N N 15 117.470 0.300 . 1 . . . . 29 ASN N . 10194 1 278 . 1 1 29 29 ASN H H 1 8.728 0.030 . 1 . . . . 29 ASN H . 10194 1 279 . 1 1 29 29 ASN CA C 13 56.477 0.300 . 1 . . . . 29 ASN CA . 10194 1 280 . 1 1 29 29 ASN HA H 1 4.148 0.030 . 1 . . . . 29 ASN HA . 10194 1 281 . 1 1 29 29 ASN CB C 13 37.170 0.300 . 1 . . . . 29 ASN CB . 10194 1 282 . 1 1 29 29 ASN HB2 H 1 2.964 0.030 . 2 . . . . 29 ASN HB2 . 10194 1 283 . 1 1 29 29 ASN HB3 H 1 3.576 0.030 . 2 . . . . 29 ASN HB3 . 10194 1 284 . 1 1 29 29 ASN ND2 N 15 114.528 0.300 . 1 . . . . 29 ASN ND2 . 10194 1 285 . 1 1 29 29 ASN HD21 H 1 7.717 0.030 . 2 . . . . 29 ASN HD21 . 10194 1 286 . 1 1 29 29 ASN HD22 H 1 7.095 0.030 . 2 . . . . 29 ASN HD22 . 10194 1 287 . 1 1 29 29 ASN C C 13 174.716 0.300 . 1 . . . . 29 ASN C . 10194 1 288 . 1 1 30 30 ASP N N 15 122.549 0.300 . 1 . . . . 30 ASP N . 10194 1 289 . 1 1 30 30 ASP H H 1 8.527 0.030 . 1 . . . . 30 ASP H . 10194 1 290 . 1 1 30 30 ASP CA C 13 56.167 0.300 . 1 . . . . 30 ASP CA . 10194 1 291 . 1 1 30 30 ASP HA H 1 4.596 0.030 . 1 . . . . 30 ASP HA . 10194 1 292 . 1 1 30 30 ASP CB C 13 41.797 0.300 . 1 . . . . 30 ASP CB . 10194 1 293 . 1 1 30 30 ASP HB2 H 1 2.893 0.030 . 2 . . . . 30 ASP HB2 . 10194 1 294 . 1 1 30 30 ASP HB3 H 1 2.406 0.030 . 2 . . . . 30 ASP HB3 . 10194 1 295 . 1 1 30 30 ASP C C 13 175.177 0.300 . 1 . . . . 30 ASP C . 10194 1 296 . 1 1 31 31 ILE N N 15 119.187 0.300 . 1 . . . . 31 ILE N . 10194 1 297 . 1 1 31 31 ILE H H 1 8.267 0.030 . 1 . . . . 31 ILE H . 10194 1 298 . 1 1 31 31 ILE CA C 13 59.191 0.300 . 1 . . . . 31 ILE CA . 10194 1 299 . 1 1 31 31 ILE HA H 1 4.819 0.030 . 1 . . . . 31 ILE HA . 10194 1 300 . 1 1 31 31 ILE CB C 13 36.702 0.300 . 1 . . . . 31 ILE CB . 10194 1 301 . 1 1 31 31 ILE HB H 1 1.924 0.030 . 1 . . . . 31 ILE HB . 10194 1 302 . 1 1 31 31 ILE CG1 C 13 26.828 0.300 . 1 . . . . 31 ILE CG1 . 10194 1 303 . 1 1 31 31 ILE HG12 H 1 1.557 0.030 . 2 . . . . 31 ILE HG12 . 10194 1 304 . 1 1 31 31 ILE HG13 H 1 1.283 0.030 . 2 . . . . 31 ILE HG13 . 10194 1 305 . 1 1 31 31 ILE CG2 C 13 17.724 0.300 . 1 . . . . 31 ILE CG2 . 10194 1 306 . 1 1 31 31 ILE HG21 H 1 0.745 0.030 . 1 . . . . 31 ILE HG2 . 10194 1 307 . 1 1 31 31 ILE HG22 H 1 0.745 0.030 . 1 . . . . 31 ILE HG2 . 10194 1 308 . 1 1 31 31 ILE HG23 H 1 0.745 0.030 . 1 . . . . 31 ILE HG2 . 10194 1 309 . 1 1 31 31 ILE CD1 C 13 10.902 0.300 . 1 . . . . 31 ILE CD1 . 10194 1 310 . 1 1 31 31 ILE HD11 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 10194 1 311 . 1 1 31 31 ILE HD12 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 10194 1 312 . 1 1 31 31 ILE HD13 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 10194 1 313 . 1 1 31 31 ILE C C 13 175.437 0.300 . 1 . . . . 31 ILE C . 10194 1 314 . 1 1 32 32 ILE N N 15 129.566 0.300 . 1 . . . . 32 ILE N . 10194 1 315 . 1 1 32 32 ILE H H 1 9.247 0.030 . 1 . . . . 32 ILE H . 10194 1 316 . 1 1 32 32 ILE CA C 13 60.211 0.300 . 1 . . . . 32 ILE CA . 10194 1 317 . 1 1 32 32 ILE HA H 1 4.140 0.030 . 1 . . . . 32 ILE HA . 10194 1 318 . 1 1 32 32 ILE CB C 13 41.978 0.300 . 1 . . . . 32 ILE CB . 10194 1 319 . 1 1 32 32 ILE HB H 1 1.291 0.030 . 1 . . . . 32 ILE HB . 10194 1 320 . 1 1 32 32 ILE CG1 C 13 28.972 0.300 . 1 . . . . 32 ILE CG1 . 10194 1 321 . 1 1 32 32 ILE HG12 H 1 0.895 0.030 . 2 . . . . 32 ILE HG12 . 10194 1 322 . 1 1 32 32 ILE HG13 H 1 0.570 0.030 . 2 . . . . 32 ILE HG13 . 10194 1 323 . 1 1 32 32 ILE CG2 C 13 18.802 0.300 . 1 . . . . 32 ILE CG2 . 10194 1 324 . 1 1 32 32 ILE HG21 H 1 0.586 0.030 . 1 . . . . 32 ILE HG2 . 10194 1 325 . 1 1 32 32 ILE HG22 H 1 0.586 0.030 . 1 . . . . 32 ILE HG2 . 10194 1 326 . 1 1 32 32 ILE HG23 H 1 0.586 0.030 . 1 . . . . 32 ILE HG2 . 10194 1 327 . 1 1 32 32 ILE CD1 C 13 14.460 0.300 . 1 . . . . 32 ILE CD1 . 10194 1 328 . 1 1 32 32 ILE HD11 H 1 -0.265 0.030 . 1 . . . . 32 ILE HD1 . 10194 1 329 . 1 1 32 32 ILE HD12 H 1 -0.265 0.030 . 1 . . . . 32 ILE HD1 . 10194 1 330 . 1 1 32 32 ILE HD13 H 1 -0.265 0.030 . 1 . . . . 32 ILE HD1 . 10194 1 331 . 1 1 32 32 ILE C C 13 176.197 0.300 . 1 . . . . 32 ILE C . 10194 1 332 . 1 1 33 33 THR N N 15 123.061 0.300 . 1 . . . . 33 THR N . 10194 1 333 . 1 1 33 33 THR H H 1 8.741 0.030 . 1 . . . . 33 THR H . 10194 1 334 . 1 1 33 33 THR CA C 13 63.117 0.300 . 1 . . . . 33 THR CA . 10194 1 335 . 1 1 33 33 THR HA H 1 4.583 0.030 . 1 . . . . 33 THR HA . 10194 1 336 . 1 1 33 33 THR CB C 13 69.626 0.300 . 1 . . . . 33 THR CB . 10194 1 337 . 1 1 33 33 THR HB H 1 4.199 0.030 . 1 . . . . 33 THR HB . 10194 1 338 . 1 1 33 33 THR CG2 C 13 21.370 0.300 . 1 . . . . 33 THR CG2 . 10194 1 339 . 1 1 33 33 THR HG21 H 1 1.134 0.030 . 1 . . . . 33 THR HG2 . 10194 1 340 . 1 1 33 33 THR HG22 H 1 1.134 0.030 . 1 . . . . 33 THR HG2 . 10194 1 341 . 1 1 33 33 THR HG23 H 1 1.134 0.030 . 1 . . . . 33 THR HG2 . 10194 1 342 . 1 1 33 33 THR C C 13 174.011 0.300 . 1 . . . . 33 THR C . 10194 1 343 . 1 1 34 34 ILE N N 15 128.281 0.300 . 1 . . . . 34 ILE N . 10194 1 344 . 1 1 34 34 ILE H H 1 9.110 0.030 . 1 . . . . 34 ILE H . 10194 1 345 . 1 1 34 34 ILE CA C 13 61.566 0.300 . 1 . . . . 34 ILE CA . 10194 1 346 . 1 1 34 34 ILE HA H 1 4.117 0.030 . 1 . . . . 34 ILE HA . 10194 1 347 . 1 1 34 34 ILE CB C 13 36.785 0.300 . 1 . . . . 34 ILE CB . 10194 1 348 . 1 1 34 34 ILE HB H 1 1.816 0.030 . 1 . . . . 34 ILE HB . 10194 1 349 . 1 1 34 34 ILE CG1 C 13 27.452 0.300 . 1 . . . . 34 ILE CG1 . 10194 1 350 . 1 1 34 34 ILE HG12 H 1 1.402 0.030 . 2 . . . . 34 ILE HG12 . 10194 1 351 . 1 1 34 34 ILE HG13 H 1 1.184 0.030 . 2 . . . . 34 ILE HG13 . 10194 1 352 . 1 1 34 34 ILE CG2 C 13 17.683 0.300 . 1 . . . . 34 ILE CG2 . 10194 1 353 . 1 1 34 34 ILE HG21 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 10194 1 354 . 1 1 34 34 ILE HG22 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 10194 1 355 . 1 1 34 34 ILE HG23 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 10194 1 356 . 1 1 34 34 ILE CD1 C 13 12.798 0.300 . 1 . . . . 34 ILE CD1 . 10194 1 357 . 1 1 34 34 ILE HD11 H 1 0.761 0.030 . 1 . . . . 34 ILE HD1 . 10194 1 358 . 1 1 34 34 ILE HD12 H 1 0.761 0.030 . 1 . . . . 34 ILE HD1 . 10194 1 359 . 1 1 34 34 ILE HD13 H 1 0.761 0.030 . 1 . . . . 34 ILE HD1 . 10194 1 360 . 1 1 34 34 ILE C C 13 175.420 0.300 . 1 . . . . 34 ILE C . 10194 1 361 . 1 1 35 35 ILE N N 15 128.859 0.300 . 1 . . . . 35 ILE N . 10194 1 362 . 1 1 35 35 ILE H H 1 9.359 0.030 . 1 . . . . 35 ILE H . 10194 1 363 . 1 1 35 35 ILE CA C 13 60.949 0.300 . 1 . . . . 35 ILE CA . 10194 1 364 . 1 1 35 35 ILE HA H 1 4.224 0.030 . 1 . . . . 35 ILE HA . 10194 1 365 . 1 1 35 35 ILE CB C 13 38.186 0.300 . 1 . . . . 35 ILE CB . 10194 1 366 . 1 1 35 35 ILE HB H 1 1.660 0.030 . 1 . . . . 35 ILE HB . 10194 1 367 . 1 1 35 35 ILE CG1 C 13 27.234 0.300 . 1 . . . . 35 ILE CG1 . 10194 1 368 . 1 1 35 35 ILE HG12 H 1 1.349 0.030 . 2 . . . . 35 ILE HG12 . 10194 1 369 . 1 1 35 35 ILE HG13 H 1 1.245 0.030 . 2 . . . . 35 ILE HG13 . 10194 1 370 . 1 1 35 35 ILE CG2 C 13 16.832 0.300 . 1 . . . . 35 ILE CG2 . 10194 1 371 . 1 1 35 35 ILE HG21 H 1 0.846 0.030 . 1 . . . . 35 ILE HG2 . 10194 1 372 . 1 1 35 35 ILE HG22 H 1 0.846 0.030 . 1 . . . . 35 ILE HG2 . 10194 1 373 . 1 1 35 35 ILE HG23 H 1 0.846 0.030 . 1 . . . . 35 ILE HG2 . 10194 1 374 . 1 1 35 35 ILE CD1 C 13 10.624 0.300 . 1 . . . . 35 ILE CD1 . 10194 1 375 . 1 1 35 35 ILE HD11 H 1 0.722 0.030 . 1 . . . . 35 ILE HD1 . 10194 1 376 . 1 1 35 35 ILE HD12 H 1 0.722 0.030 . 1 . . . . 35 ILE HD1 . 10194 1 377 . 1 1 35 35 ILE HD13 H 1 0.722 0.030 . 1 . . . . 35 ILE HD1 . 10194 1 378 . 1 1 35 35 ILE C C 13 176.253 0.300 . 1 . . . . 35 ILE C . 10194 1 379 . 1 1 36 36 SER N N 15 111.665 0.300 . 1 . . . . 36 SER N . 10194 1 380 . 1 1 36 36 SER H H 1 7.882 0.030 . 1 . . . . 36 SER H . 10194 1 381 . 1 1 36 36 SER CA C 13 57.605 0.300 . 1 . . . . 36 SER CA . 10194 1 382 . 1 1 36 36 SER HA H 1 4.525 0.030 . 1 . . . . 36 SER HA . 10194 1 383 . 1 1 36 36 SER CB C 13 64.435 0.300 . 1 . . . . 36 SER CB . 10194 1 384 . 1 1 36 36 SER HB2 H 1 3.806 0.030 . 2 . . . . 36 SER HB2 . 10194 1 385 . 1 1 36 36 SER HB3 H 1 3.669 0.030 . 2 . . . . 36 SER HB3 . 10194 1 386 . 1 1 36 36 SER C C 13 172.845 0.300 . 1 . . . . 36 SER C . 10194 1 387 . 1 1 37 37 GLN N N 15 116.906 0.300 . 1 . . . . 37 GLN N . 10194 1 388 . 1 1 37 37 GLN H H 1 8.055 0.030 . 1 . . . . 37 GLN H . 10194 1 389 . 1 1 37 37 GLN CA C 13 54.718 0.300 . 1 . . . . 37 GLN CA . 10194 1 390 . 1 1 37 37 GLN HA H 1 4.420 0.030 . 1 . . . . 37 GLN HA . 10194 1 391 . 1 1 37 37 GLN CB C 13 29.381 0.300 . 1 . . . . 37 GLN CB . 10194 1 392 . 1 1 37 37 GLN HB2 H 1 1.539 0.030 . 1 . . . . 37 GLN HB2 . 10194 1 393 . 1 1 37 37 GLN HB3 H 1 1.539 0.030 . 1 . . . . 37 GLN HB3 . 10194 1 394 . 1 1 37 37 GLN CG C 13 33.389 0.300 . 1 . . . . 37 GLN CG . 10194 1 395 . 1 1 37 37 GLN HG2 H 1 0.763 0.030 . 2 . . . . 37 GLN HG2 . 10194 1 396 . 1 1 37 37 GLN HG3 H 1 1.458 0.030 . 2 . . . . 37 GLN HG3 . 10194 1 397 . 1 1 37 37 GLN NE2 N 15 110.030 0.300 . 1 . . . . 37 GLN NE2 . 10194 1 398 . 1 1 37 37 GLN HE21 H 1 6.572 0.030 . 2 . . . . 37 GLN HE21 . 10194 1 399 . 1 1 37 37 GLN HE22 H 1 5.520 0.030 . 2 . . . . 37 GLN HE22 . 10194 1 400 . 1 1 37 37 GLN C C 13 175.080 0.300 . 1 . . . . 37 GLN C . 10194 1 401 . 1 1 38 38 LYS N N 15 124.909 0.300 . 1 . . . . 38 LYS N . 10194 1 402 . 1 1 38 38 LYS H H 1 8.046 0.030 . 1 . . . . 38 LYS H . 10194 1 403 . 1 1 38 38 LYS CA C 13 58.998 0.300 . 1 . . . . 38 LYS CA . 10194 1 404 . 1 1 38 38 LYS HA H 1 4.076 0.030 . 1 . . . . 38 LYS HA . 10194 1 405 . 1 1 38 38 LYS CB C 13 33.116 0.300 . 1 . . . . 38 LYS CB . 10194 1 406 . 1 1 38 38 LYS HB2 H 1 1.739 0.030 . 1 . . . . 38 LYS HB2 . 10194 1 407 . 1 1 38 38 LYS HB3 H 1 1.739 0.030 . 1 . . . . 38 LYS HB3 . 10194 1 408 . 1 1 38 38 LYS CG C 13 24.750 0.300 . 1 . . . . 38 LYS CG . 10194 1 409 . 1 1 38 38 LYS HG2 H 1 1.384 0.030 . 2 . . . . 38 LYS HG2 . 10194 1 410 . 1 1 38 38 LYS HG3 H 1 1.272 0.030 . 2 . . . . 38 LYS HG3 . 10194 1 411 . 1 1 38 38 LYS CD C 13 29.366 0.300 . 1 . . . . 38 LYS CD . 10194 1 412 . 1 1 38 38 LYS HD2 H 1 1.480 0.030 . 2 . . . . 38 LYS HD2 . 10194 1 413 . 1 1 38 38 LYS HD3 H 1 1.378 0.030 . 2 . . . . 38 LYS HD3 . 10194 1 414 . 1 1 38 38 LYS CE C 13 41.895 0.300 . 1 . . . . 38 LYS CE . 10194 1 415 . 1 1 38 38 LYS HE2 H 1 2.689 0.030 . 1 . . . . 38 LYS HE2 . 10194 1 416 . 1 1 38 38 LYS HE3 H 1 2.689 0.030 . 1 . . . . 38 LYS HE3 . 10194 1 417 . 1 1 38 38 LYS C C 13 176.508 0.300 . 1 . . . . 38 LYS C . 10194 1 418 . 1 1 39 39 ASP N N 15 117.133 0.300 . 1 . . . . 39 ASP N . 10194 1 419 . 1 1 39 39 ASP H H 1 8.296 0.030 . 1 . . . . 39 ASP H . 10194 1 420 . 1 1 39 39 ASP CA C 13 53.294 0.300 . 1 . . . . 39 ASP CA . 10194 1 421 . 1 1 39 39 ASP HA H 1 4.558 0.030 . 1 . . . . 39 ASP HA . 10194 1 422 . 1 1 39 39 ASP CB C 13 41.847 0.300 . 1 . . . . 39 ASP CB . 10194 1 423 . 1 1 39 39 ASP HB2 H 1 3.132 0.030 . 2 . . . . 39 ASP HB2 . 10194 1 424 . 1 1 39 39 ASP HB3 H 1 2.907 0.030 . 2 . . . . 39 ASP HB3 . 10194 1 425 . 1 1 39 39 ASP C C 13 175.201 0.300 . 1 . . . . 39 ASP C . 10194 1 426 . 1 1 40 40 GLU N N 15 116.223 0.300 . 1 . . . . 40 GLU N . 10194 1 427 . 1 1 40 40 GLU H H 1 8.564 0.030 . 1 . . . . 40 GLU H . 10194 1 428 . 1 1 40 40 GLU CA C 13 58.748 0.300 . 1 . . . . 40 GLU CA . 10194 1 429 . 1 1 40 40 GLU HA H 1 4.088 0.030 . 1 . . . . 40 GLU HA . 10194 1 430 . 1 1 40 40 GLU CB C 13 29.696 0.300 . 1 . . . . 40 GLU CB . 10194 1 431 . 1 1 40 40 GLU HB2 H 1 1.606 0.030 . 2 . . . . 40 GLU HB2 . 10194 1 432 . 1 1 40 40 GLU HB3 H 1 1.731 0.030 . 2 . . . . 40 GLU HB3 . 10194 1 433 . 1 1 40 40 GLU CG C 13 35.713 0.300 . 1 . . . . 40 GLU CG . 10194 1 434 . 1 1 40 40 GLU HG2 H 1 1.922 0.030 . 2 . . . . 40 GLU HG2 . 10194 1 435 . 1 1 40 40 GLU HG3 H 1 1.809 0.030 . 2 . . . . 40 GLU HG3 . 10194 1 436 . 1 1 40 40 GLU C C 13 176.367 0.300 . 1 . . . . 40 GLU C . 10194 1 437 . 1 1 41 41 HIS N N 15 114.612 0.300 . 1 . . . . 41 HIS N . 10194 1 438 . 1 1 41 41 HIS H H 1 8.383 0.030 . 1 . . . . 41 HIS H . 10194 1 439 . 1 1 41 41 HIS CA C 13 56.873 0.300 . 1 . . . . 41 HIS CA . 10194 1 440 . 1 1 41 41 HIS HA H 1 4.613 0.030 . 1 . . . . 41 HIS HA . 10194 1 441 . 1 1 41 41 HIS CB C 13 32.910 0.300 . 1 . . . . 41 HIS CB . 10194 1 442 . 1 1 41 41 HIS HB2 H 1 3.116 0.030 . 2 . . . . 41 HIS HB2 . 10194 1 443 . 1 1 41 41 HIS HB3 H 1 3.038 0.030 . 2 . . . . 41 HIS HB3 . 10194 1 444 . 1 1 41 41 HIS CD2 C 13 119.601 0.300 . 1 . . . . 41 HIS CD2 . 10194 1 445 . 1 1 41 41 HIS HD2 H 1 7.016 0.030 . 1 . . . . 41 HIS HD2 . 10194 1 446 . 1 1 41 41 HIS CE1 C 13 138.544 0.300 . 1 . . . . 41 HIS CE1 . 10194 1 447 . 1 1 41 41 HIS HE1 H 1 7.756 0.030 . 1 . . . . 41 HIS HE1 . 10194 1 448 . 1 1 41 41 HIS C C 13 176.755 0.300 . 1 . . . . 41 HIS C . 10194 1 449 . 1 1 42 42 CYS N N 15 122.290 0.300 . 1 . . . . 42 CYS N . 10194 1 450 . 1 1 42 42 CYS H H 1 8.337 0.030 . 1 . . . . 42 CYS H . 10194 1 451 . 1 1 42 42 CYS CA C 13 58.168 0.300 . 1 . . . . 42 CYS CA . 10194 1 452 . 1 1 42 42 CYS HA H 1 4.885 0.030 . 1 . . . . 42 CYS HA . 10194 1 453 . 1 1 42 42 CYS CB C 13 29.227 0.300 . 1 . . . . 42 CYS CB . 10194 1 454 . 1 1 42 42 CYS HB2 H 1 2.686 0.030 . 2 . . . . 42 CYS HB2 . 10194 1 455 . 1 1 42 42 CYS HB3 H 1 2.609 0.030 . 2 . . . . 42 CYS HB3 . 10194 1 456 . 1 1 42 42 CYS C C 13 172.892 0.300 . 1 . . . . 42 CYS C . 10194 1 457 . 1 1 43 43 TRP N N 15 127.114 0.300 . 1 . . . . 43 TRP N . 10194 1 458 . 1 1 43 43 TRP H H 1 8.333 0.030 . 1 . . . . 43 TRP H . 10194 1 459 . 1 1 43 43 TRP CA C 13 53.262 0.300 . 1 . . . . 43 TRP CA . 10194 1 460 . 1 1 43 43 TRP HA H 1 5.307 0.030 . 1 . . . . 43 TRP HA . 10194 1 461 . 1 1 43 43 TRP CB C 13 33.323 0.300 . 1 . . . . 43 TRP CB . 10194 1 462 . 1 1 43 43 TRP HB2 H 1 2.984 0.030 . 2 . . . . 43 TRP HB2 . 10194 1 463 . 1 1 43 43 TRP HB3 H 1 2.247 0.030 . 2 . . . . 43 TRP HB3 . 10194 1 464 . 1 1 43 43 TRP CD1 C 13 124.581 0.300 . 1 . . . . 43 TRP CD1 . 10194 1 465 . 1 1 43 43 TRP HD1 H 1 7.290 0.030 . 1 . . . . 43 TRP HD1 . 10194 1 466 . 1 1 43 43 TRP NE1 N 15 128.512 0.300 . 1 . . . . 43 TRP NE1 . 10194 1 467 . 1 1 43 43 TRP HE1 H 1 9.565 0.030 . 1 . . . . 43 TRP HE1 . 10194 1 468 . 1 1 43 43 TRP CE3 C 13 119.794 0.300 . 1 . . . . 43 TRP CE3 . 10194 1 469 . 1 1 43 43 TRP HE3 H 1 7.404 0.030 . 1 . . . . 43 TRP HE3 . 10194 1 470 . 1 1 43 43 TRP CZ2 C 13 115.217 0.300 . 1 . . . . 43 TRP CZ2 . 10194 1 471 . 1 1 43 43 TRP HZ2 H 1 7.485 0.030 . 1 . . . . 43 TRP HZ2 . 10194 1 472 . 1 1 43 43 TRP CZ3 C 13 121.455 0.300 . 1 . . . . 43 TRP CZ3 . 10194 1 473 . 1 1 43 43 TRP HZ3 H 1 6.783 0.030 . 1 . . . . 43 TRP HZ3 . 10194 1 474 . 1 1 43 43 TRP CH2 C 13 124.740 0.300 . 1 . . . . 43 TRP CH2 . 10194 1 475 . 1 1 43 43 TRP HH2 H 1 7.173 0.030 . 1 . . . . 43 TRP HH2 . 10194 1 476 . 1 1 43 43 TRP C C 13 173.064 0.300 . 1 . . . . 43 TRP C . 10194 1 477 . 1 1 44 44 VAL N N 15 117.650 0.300 . 1 . . . . 44 VAL N . 10194 1 478 . 1 1 44 44 VAL H H 1 8.591 0.030 . 1 . . . . 44 VAL H . 10194 1 479 . 1 1 44 44 VAL CA C 13 61.801 0.300 . 1 . . . . 44 VAL CA . 10194 1 480 . 1 1 44 44 VAL HA H 1 4.739 0.030 . 1 . . . . 44 VAL HA . 10194 1 481 . 1 1 44 44 VAL CB C 13 32.962 0.300 . 1 . . . . 44 VAL CB . 10194 1 482 . 1 1 44 44 VAL HB H 1 1.848 0.030 . 1 . . . . 44 VAL HB . 10194 1 483 . 1 1 44 44 VAL CG1 C 13 20.869 0.300 . 2 . . . . 44 VAL CG1 . 10194 1 484 . 1 1 44 44 VAL HG11 H 1 0.865 0.030 . 1 . . . . 44 VAL HG1 . 10194 1 485 . 1 1 44 44 VAL HG12 H 1 0.865 0.030 . 1 . . . . 44 VAL HG1 . 10194 1 486 . 1 1 44 44 VAL HG13 H 1 0.865 0.030 . 1 . . . . 44 VAL HG1 . 10194 1 487 . 1 1 44 44 VAL CG2 C 13 21.255 0.300 . 2 . . . . 44 VAL CG2 . 10194 1 488 . 1 1 44 44 VAL HG21 H 1 0.646 0.030 . 1 . . . . 44 VAL HG2 . 10194 1 489 . 1 1 44 44 VAL HG22 H 1 0.646 0.030 . 1 . . . . 44 VAL HG2 . 10194 1 490 . 1 1 44 44 VAL HG23 H 1 0.646 0.030 . 1 . . . . 44 VAL HG2 . 10194 1 491 . 1 1 44 44 VAL C C 13 176.980 0.300 . 1 . . . . 44 VAL C . 10194 1 492 . 1 1 45 45 GLY N N 15 115.010 0.300 . 1 . . . . 45 GLY N . 10194 1 493 . 1 1 45 45 GLY H H 1 9.469 0.030 . 1 . . . . 45 GLY H . 10194 1 494 . 1 1 45 45 GLY CA C 13 45.159 0.300 . 1 . . . . 45 GLY CA . 10194 1 495 . 1 1 45 45 GLY HA2 H 1 3.769 0.030 . 2 . . . . 45 GLY HA2 . 10194 1 496 . 1 1 45 45 GLY HA3 H 1 5.478 0.030 . 2 . . . . 45 GLY HA3 . 10194 1 497 . 1 1 45 45 GLY C C 13 170.022 0.300 . 1 . . . . 45 GLY C . 10194 1 498 . 1 1 46 46 GLU N N 15 118.202 0.300 . 1 . . . . 46 GLU N . 10194 1 499 . 1 1 46 46 GLU H H 1 9.072 0.030 . 1 . . . . 46 GLU H . 10194 1 500 . 1 1 46 46 GLU CA C 13 54.226 0.300 . 1 . . . . 46 GLU CA . 10194 1 501 . 1 1 46 46 GLU HA H 1 5.720 0.030 . 1 . . . . 46 GLU HA . 10194 1 502 . 1 1 46 46 GLU CB C 13 34.724 0.300 . 1 . . . . 46 GLU CB . 10194 1 503 . 1 1 46 46 GLU HB2 H 1 1.948 0.030 . 2 . . . . 46 GLU HB2 . 10194 1 504 . 1 1 46 46 GLU HB3 H 1 1.851 0.030 . 2 . . . . 46 GLU HB3 . 10194 1 505 . 1 1 46 46 GLU CG C 13 36.867 0.300 . 1 . . . . 46 GLU CG . 10194 1 506 . 1 1 46 46 GLU HG2 H 1 2.125 0.030 . 1 . . . . 46 GLU HG2 . 10194 1 507 . 1 1 46 46 GLU HG3 H 1 2.125 0.030 . 1 . . . . 46 GLU HG3 . 10194 1 508 . 1 1 46 46 GLU C C 13 174.843 0.300 . 1 . . . . 46 GLU C . 10194 1 509 . 1 1 47 47 LEU N N 15 125.182 0.300 . 1 . . . . 47 LEU N . 10194 1 510 . 1 1 47 47 LEU H H 1 8.880 0.030 . 1 . . . . 47 LEU H . 10194 1 511 . 1 1 47 47 LEU CA C 13 55.064 0.300 . 1 . . . . 47 LEU CA . 10194 1 512 . 1 1 47 47 LEU HA H 1 4.711 0.030 . 1 . . . . 47 LEU HA . 10194 1 513 . 1 1 47 47 LEU CB C 13 45.900 0.300 . 1 . . . . 47 LEU CB . 10194 1 514 . 1 1 47 47 LEU HB2 H 1 1.492 0.030 . 2 . . . . 47 LEU HB2 . 10194 1 515 . 1 1 47 47 LEU HB3 H 1 1.890 0.030 . 2 . . . . 47 LEU HB3 . 10194 1 516 . 1 1 47 47 LEU CG C 13 27.620 0.300 . 1 . . . . 47 LEU CG . 10194 1 517 . 1 1 47 47 LEU HG H 1 1.498 0.030 . 1 . . . . 47 LEU HG . 10194 1 518 . 1 1 47 47 LEU CD1 C 13 23.418 0.300 . 2 . . . . 47 LEU CD1 . 10194 1 519 . 1 1 47 47 LEU HD11 H 1 0.989 0.030 . 1 . . . . 47 LEU HD1 . 10194 1 520 . 1 1 47 47 LEU HD12 H 1 0.989 0.030 . 1 . . . . 47 LEU HD1 . 10194 1 521 . 1 1 47 47 LEU HD13 H 1 0.989 0.030 . 1 . . . . 47 LEU HD1 . 10194 1 522 . 1 1 47 47 LEU CD2 C 13 27.057 0.300 . 2 . . . . 47 LEU CD2 . 10194 1 523 . 1 1 47 47 LEU HD21 H 1 1.068 0.030 . 1 . . . . 47 LEU HD2 . 10194 1 524 . 1 1 47 47 LEU HD22 H 1 1.068 0.030 . 1 . . . . 47 LEU HD2 . 10194 1 525 . 1 1 47 47 LEU HD23 H 1 1.068 0.030 . 1 . . . . 47 LEU HD2 . 10194 1 526 . 1 1 47 47 LEU C C 13 176.130 0.300 . 1 . . . . 47 LEU C . 10194 1 527 . 1 1 48 48 ASN N N 15 127.515 0.300 . 1 . . . . 48 ASN N . 10194 1 528 . 1 1 48 48 ASN H H 1 9.796 0.030 . 1 . . . . 48 ASN H . 10194 1 529 . 1 1 48 48 ASN CA C 13 54.407 0.300 . 1 . . . . 48 ASN CA . 10194 1 530 . 1 1 48 48 ASN HA H 1 4.457 0.030 . 1 . . . . 48 ASN HA . 10194 1 531 . 1 1 48 48 ASN CB C 13 37.546 0.300 . 1 . . . . 48 ASN CB . 10194 1 532 . 1 1 48 48 ASN HB2 H 1 2.827 0.030 . 2 . . . . 48 ASN HB2 . 10194 1 533 . 1 1 48 48 ASN HB3 H 1 3.107 0.030 . 2 . . . . 48 ASN HB3 . 10194 1 534 . 1 1 48 48 ASN ND2 N 15 114.046 0.300 . 1 . . . . 48 ASN ND2 . 10194 1 535 . 1 1 48 48 ASN HD21 H 1 7.798 0.030 . 2 . . . . 48 ASN HD21 . 10194 1 536 . 1 1 48 48 ASN HD22 H 1 7.116 0.030 . 2 . . . . 48 ASN HD22 . 10194 1 537 . 1 1 48 48 ASN C C 13 174.935 0.300 . 1 . . . . 48 ASN C . 10194 1 538 . 1 1 49 49 GLY N N 15 104.068 0.300 . 1 . . . . 49 GLY N . 10194 1 539 . 1 1 49 49 GLY H H 1 8.891 0.030 . 1 . . . . 49 GLY H . 10194 1 540 . 1 1 49 49 GLY CA C 13 45.471 0.300 . 1 . . . . 49 GLY CA . 10194 1 541 . 1 1 49 49 GLY HA2 H 1 3.621 0.030 . 2 . . . . 49 GLY HA2 . 10194 1 542 . 1 1 49 49 GLY HA3 H 1 4.230 0.030 . 2 . . . . 49 GLY HA3 . 10194 1 543 . 1 1 49 49 GLY C C 13 173.671 0.300 . 1 . . . . 49 GLY C . 10194 1 544 . 1 1 50 50 LEU N N 15 122.996 0.300 . 1 . . . . 50 LEU N . 10194 1 545 . 1 1 50 50 LEU H H 1 7.818 0.030 . 1 . . . . 50 LEU H . 10194 1 546 . 1 1 50 50 LEU CA C 13 53.971 0.300 . 1 . . . . 50 LEU CA . 10194 1 547 . 1 1 50 50 LEU HA H 1 4.727 0.030 . 1 . . . . 50 LEU HA . 10194 1 548 . 1 1 50 50 LEU CB C 13 43.482 0.300 . 1 . . . . 50 LEU CB . 10194 1 549 . 1 1 50 50 LEU HB2 H 1 1.846 0.030 . 2 . . . . 50 LEU HB2 . 10194 1 550 . 1 1 50 50 LEU HB3 H 1 1.603 0.030 . 2 . . . . 50 LEU HB3 . 10194 1 551 . 1 1 50 50 LEU CG C 13 27.305 0.300 . 1 . . . . 50 LEU CG . 10194 1 552 . 1 1 50 50 LEU HG H 1 1.678 0.030 . 1 . . . . 50 LEU HG . 10194 1 553 . 1 1 50 50 LEU CD1 C 13 25.164 0.300 . 2 . . . . 50 LEU CD1 . 10194 1 554 . 1 1 50 50 LEU HD11 H 1 1.022 0.030 . 1 . . . . 50 LEU HD1 . 10194 1 555 . 1 1 50 50 LEU HD12 H 1 1.022 0.030 . 1 . . . . 50 LEU HD1 . 10194 1 556 . 1 1 50 50 LEU HD13 H 1 1.022 0.030 . 1 . . . . 50 LEU HD1 . 10194 1 557 . 1 1 50 50 LEU CD2 C 13 23.447 0.300 . 2 . . . . 50 LEU CD2 . 10194 1 558 . 1 1 50 50 LEU HD21 H 1 0.987 0.030 . 1 . . . . 50 LEU HD2 . 10194 1 559 . 1 1 50 50 LEU HD22 H 1 0.987 0.030 . 1 . . . . 50 LEU HD2 . 10194 1 560 . 1 1 50 50 LEU HD23 H 1 0.987 0.030 . 1 . . . . 50 LEU HD2 . 10194 1 561 . 1 1 50 50 LEU C C 13 174.930 0.300 . 1 . . . . 50 LEU C . 10194 1 562 . 1 1 51 51 ARG N N 15 119.072 0.300 . 1 . . . . 51 ARG N . 10194 1 563 . 1 1 51 51 ARG H H 1 8.410 0.030 . 1 . . . . 51 ARG H . 10194 1 564 . 1 1 51 51 ARG CA C 13 54.020 0.300 . 1 . . . . 51 ARG CA . 10194 1 565 . 1 1 51 51 ARG HA H 1 5.843 0.030 . 1 . . . . 51 ARG HA . 10194 1 566 . 1 1 51 51 ARG CB C 13 34.724 0.300 . 1 . . . . 51 ARG CB . 10194 1 567 . 1 1 51 51 ARG HB2 H 1 1.754 0.030 . 1 . . . . 51 ARG HB2 . 10194 1 568 . 1 1 51 51 ARG HB3 H 1 1.754 0.030 . 1 . . . . 51 ARG HB3 . 10194 1 569 . 1 1 51 51 ARG CG C 13 27.495 0.300 . 1 . . . . 51 ARG CG . 10194 1 570 . 1 1 51 51 ARG HG2 H 1 1.654 0.030 . 2 . . . . 51 ARG HG2 . 10194 1 571 . 1 1 51 51 ARG HG3 H 1 1.586 0.030 . 2 . . . . 51 ARG HG3 . 10194 1 572 . 1 1 51 51 ARG CD C 13 43.811 0.300 . 1 . . . . 51 ARG CD . 10194 1 573 . 1 1 51 51 ARG HD2 H 1 3.133 0.030 . 2 . . . . 51 ARG HD2 . 10194 1 574 . 1 1 51 51 ARG HD3 H 1 3.085 0.030 . 2 . . . . 51 ARG HD3 . 10194 1 575 . 1 1 51 51 ARG C C 13 176.707 0.300 . 1 . . . . 51 ARG C . 10194 1 576 . 1 1 52 52 GLY N N 15 109.058 0.300 . 1 . . . . 52 GLY N . 10194 1 577 . 1 1 52 52 GLY H H 1 8.661 0.030 . 1 . . . . 52 GLY H . 10194 1 578 . 1 1 52 52 GLY CA C 13 45.683 0.300 . 1 . . . . 52 GLY CA . 10194 1 579 . 1 1 52 52 GLY HA2 H 1 3.975 0.030 . 2 . . . . 52 GLY HA2 . 10194 1 580 . 1 1 52 52 GLY HA3 H 1 4.248 0.030 . 2 . . . . 52 GLY HA3 . 10194 1 581 . 1 1 52 52 GLY C C 13 171.261 0.300 . 1 . . . . 52 GLY C . 10194 1 582 . 1 1 53 53 TRP N N 15 119.558 0.300 . 1 . . . . 53 TRP N . 10194 1 583 . 1 1 53 53 TRP H H 1 8.825 0.030 . 1 . . . . 53 TRP H . 10194 1 584 . 1 1 53 53 TRP CA C 13 55.402 0.300 . 1 . . . . 53 TRP CA . 10194 1 585 . 1 1 53 53 TRP HA H 1 6.222 0.030 . 1 . . . . 53 TRP HA . 10194 1 586 . 1 1 53 53 TRP CB C 13 31.856 0.300 . 1 . . . . 53 TRP CB . 10194 1 587 . 1 1 53 53 TRP HB2 H 1 3.377 0.030 . 2 . . . . 53 TRP HB2 . 10194 1 588 . 1 1 53 53 TRP HB3 H 1 3.145 0.030 . 2 . . . . 53 TRP HB3 . 10194 1 589 . 1 1 53 53 TRP CD1 C 13 127.629 0.300 . 1 . . . . 53 TRP CD1 . 10194 1 590 . 1 1 53 53 TRP HD1 H 1 7.244 0.030 . 1 . . . . 53 TRP HD1 . 10194 1 591 . 1 1 53 53 TRP NE1 N 15 130.284 0.300 . 1 . . . . 53 TRP NE1 . 10194 1 592 . 1 1 53 53 TRP HE1 H 1 10.338 0.030 . 1 . . . . 53 TRP HE1 . 10194 1 593 . 1 1 53 53 TRP CE3 C 13 120.880 0.300 . 1 . . . . 53 TRP CE3 . 10194 1 594 . 1 1 53 53 TRP HE3 H 1 7.377 0.030 . 1 . . . . 53 TRP HE3 . 10194 1 595 . 1 1 53 53 TRP CZ2 C 13 115.327 0.300 . 1 . . . . 53 TRP CZ2 . 10194 1 596 . 1 1 53 53 TRP HZ2 H 1 7.578 0.030 . 1 . . . . 53 TRP HZ2 . 10194 1 597 . 1 1 53 53 TRP CZ3 C 13 121.552 0.300 . 1 . . . . 53 TRP CZ3 . 10194 1 598 . 1 1 53 53 TRP HZ3 H 1 6.958 0.030 . 1 . . . . 53 TRP HZ3 . 10194 1 599 . 1 1 53 53 TRP CH2 C 13 124.581 0.300 . 1 . . . . 53 TRP CH2 . 10194 1 600 . 1 1 53 53 TRP HH2 H 1 7.216 0.030 . 1 . . . . 53 TRP HH2 . 10194 1 601 . 1 1 53 53 TRP C C 13 176.100 0.300 . 1 . . . . 53 TRP C . 10194 1 602 . 1 1 54 54 PHE N N 15 115.426 0.300 . 1 . . . . 54 PHE N . 10194 1 603 . 1 1 54 54 PHE H H 1 8.976 0.030 . 1 . . . . 54 PHE H . 10194 1 604 . 1 1 54 54 PHE CA C 13 55.805 0.300 . 1 . . . . 54 PHE CA . 10194 1 605 . 1 1 54 54 PHE HA H 1 4.833 0.030 . 1 . . . . 54 PHE HA . 10194 1 606 . 1 1 54 54 PHE CB C 13 39.295 0.300 . 1 . . . . 54 PHE CB . 10194 1 607 . 1 1 54 54 PHE HB2 H 1 3.551 0.030 . 2 . . . . 54 PHE HB2 . 10194 1 608 . 1 1 54 54 PHE HB3 H 1 2.647 0.030 . 2 . . . . 54 PHE HB3 . 10194 1 609 . 1 1 54 54 PHE CD1 C 13 133.918 0.300 . 1 . . . . 54 PHE CD1 . 10194 1 610 . 1 1 54 54 PHE HD1 H 1 7.166 0.030 . 1 . . . . 54 PHE HD1 . 10194 1 611 . 1 1 54 54 PHE CD2 C 13 133.918 0.300 . 1 . . . . 54 PHE CD2 . 10194 1 612 . 1 1 54 54 PHE HD2 H 1 7.166 0.030 . 1 . . . . 54 PHE HD2 . 10194 1 613 . 1 1 54 54 PHE CE1 C 13 129.978 0.300 . 1 . . . . 54 PHE CE1 . 10194 1 614 . 1 1 54 54 PHE HE1 H 1 7.012 0.030 . 1 . . . . 54 PHE HE1 . 10194 1 615 . 1 1 54 54 PHE CE2 C 13 129.978 0.300 . 1 . . . . 54 PHE CE2 . 10194 1 616 . 1 1 54 54 PHE HE2 H 1 7.012 0.030 . 1 . . . . 54 PHE HE2 . 10194 1 617 . 1 1 54 54 PHE CZ C 13 127.864 0.300 . 1 . . . . 54 PHE CZ . 10194 1 618 . 1 1 54 54 PHE HZ H 1 7.081 0.030 . 1 . . . . 54 PHE HZ . 10194 1 619 . 1 1 54 54 PHE C C 13 171.898 0.300 . 1 . . . . 54 PHE C . 10194 1 620 . 1 1 55 55 PRO CA C 13 61.963 0.300 . 1 . . . . 55 PRO CA . 10194 1 621 . 1 1 55 55 PRO HA H 1 4.654 0.030 . 1 . . . . 55 PRO HA . 10194 1 622 . 1 1 55 55 PRO CB C 13 31.179 0.300 . 1 . . . . 55 PRO CB . 10194 1 623 . 1 1 55 55 PRO HB2 H 1 2.043 0.030 . 2 . . . . 55 PRO HB2 . 10194 1 624 . 1 1 55 55 PRO HB3 H 1 1.286 0.030 . 2 . . . . 55 PRO HB3 . 10194 1 625 . 1 1 55 55 PRO CG C 13 28.126 0.300 . 1 . . . . 55 PRO CG . 10194 1 626 . 1 1 55 55 PRO HG2 H 1 1.348 0.030 . 2 . . . . 55 PRO HG2 . 10194 1 627 . 1 1 55 55 PRO HG3 H 1 1.500 0.030 . 2 . . . . 55 PRO HG3 . 10194 1 628 . 1 1 55 55 PRO CD C 13 51.080 0.300 . 1 . . . . 55 PRO CD . 10194 1 629 . 1 1 55 55 PRO HD2 H 1 3.011 0.030 . 2 . . . . 55 PRO HD2 . 10194 1 630 . 1 1 55 55 PRO HD3 H 1 2.391 0.030 . 2 . . . . 55 PRO HD3 . 10194 1 631 . 1 1 55 55 PRO C C 13 177.168 0.300 . 1 . . . . 55 PRO C . 10194 1 632 . 1 1 56 56 ALA N N 15 130.132 0.300 . 1 . . . . 56 ALA N . 10194 1 633 . 1 1 56 56 ALA H H 1 7.818 0.030 . 1 . . . . 56 ALA H . 10194 1 634 . 1 1 56 56 ALA CA C 13 55.045 0.300 . 1 . . . . 56 ALA CA . 10194 1 635 . 1 1 56 56 ALA HA H 1 3.032 0.030 . 1 . . . . 56 ALA HA . 10194 1 636 . 1 1 56 56 ALA CB C 13 16.542 0.300 . 1 . . . . 56 ALA CB . 10194 1 637 . 1 1 56 56 ALA HB1 H 1 -0.226 0.030 . 1 . . . . 56 ALA HB . 10194 1 638 . 1 1 56 56 ALA HB2 H 1 -0.226 0.030 . 1 . . . . 56 ALA HB . 10194 1 639 . 1 1 56 56 ALA HB3 H 1 -0.226 0.030 . 1 . . . . 56 ALA HB . 10194 1 640 . 1 1 56 56 ALA C C 13 178.595 0.300 . 1 . . . . 56 ALA C . 10194 1 641 . 1 1 57 57 LYS N N 15 110.974 0.300 . 1 . . . . 57 LYS N . 10194 1 642 . 1 1 57 57 LYS H H 1 8.024 0.030 . 1 . . . . 57 LYS H . 10194 1 643 . 1 1 57 57 LYS CA C 13 57.118 0.300 . 1 . . . . 57 LYS CA . 10194 1 644 . 1 1 57 57 LYS HA H 1 4.213 0.030 . 1 . . . . 57 LYS HA . 10194 1 645 . 1 1 57 57 LYS CB C 13 31.641 0.300 . 1 . . . . 57 LYS CB . 10194 1 646 . 1 1 57 57 LYS HB2 H 1 1.901 0.030 . 2 . . . . 57 LYS HB2 . 10194 1 647 . 1 1 57 57 LYS HB3 H 1 1.758 0.030 . 2 . . . . 57 LYS HB3 . 10194 1 648 . 1 1 57 57 LYS CG C 13 24.285 0.300 . 1 . . . . 57 LYS CG . 10194 1 649 . 1 1 57 57 LYS HG2 H 1 1.257 0.030 . 2 . . . . 57 LYS HG2 . 10194 1 650 . 1 1 57 57 LYS HG3 H 1 1.119 0.030 . 2 . . . . 57 LYS HG3 . 10194 1 651 . 1 1 57 57 LYS CD C 13 29.317 0.300 . 1 . . . . 57 LYS CD . 10194 1 652 . 1 1 57 57 LYS HD2 H 1 1.622 0.030 . 1 . . . . 57 LYS HD2 . 10194 1 653 . 1 1 57 57 LYS HD3 H 1 1.622 0.030 . 1 . . . . 57 LYS HD3 . 10194 1 654 . 1 1 57 57 LYS CE C 13 42.102 0.300 . 1 . . . . 57 LYS CE . 10194 1 655 . 1 1 57 57 LYS HE2 H 1 2.898 0.030 . 2 . . . . 57 LYS HE2 . 10194 1 656 . 1 1 57 57 LYS HE3 H 1 2.869 0.030 . 2 . . . . 57 LYS HE3 . 10194 1 657 . 1 1 57 57 LYS C C 13 177.053 0.300 . 1 . . . . 57 LYS C . 10194 1 658 . 1 1 58 58 PHE N N 15 118.768 0.300 . 1 . . . . 58 PHE N . 10194 1 659 . 1 1 58 58 PHE H H 1 7.911 0.030 . 1 . . . . 58 PHE H . 10194 1 660 . 1 1 58 58 PHE CA C 13 56.933 0.300 . 1 . . . . 58 PHE CA . 10194 1 661 . 1 1 58 58 PHE HA H 1 4.739 0.030 . 1 . . . . 58 PHE HA . 10194 1 662 . 1 1 58 58 PHE CB C 13 38.643 0.300 . 1 . . . . 58 PHE CB . 10194 1 663 . 1 1 58 58 PHE HB2 H 1 3.754 0.030 . 2 . . . . 58 PHE HB2 . 10194 1 664 . 1 1 58 58 PHE HB3 H 1 3.478 0.030 . 2 . . . . 58 PHE HB3 . 10194 1 665 . 1 1 58 58 PHE CD1 C 13 130.123 0.300 . 1 . . . . 58 PHE CD1 . 10194 1 666 . 1 1 58 58 PHE HD1 H 1 7.039 0.030 . 1 . . . . 58 PHE HD1 . 10194 1 667 . 1 1 58 58 PHE CD2 C 13 130.123 0.300 . 1 . . . . 58 PHE CD2 . 10194 1 668 . 1 1 58 58 PHE HD2 H 1 7.039 0.030 . 1 . . . . 58 PHE HD2 . 10194 1 669 . 1 1 58 58 PHE CE1 C 13 131.893 0.300 . 1 . . . . 58 PHE CE1 . 10194 1 670 . 1 1 58 58 PHE HE1 H 1 7.435 0.030 . 1 . . . . 58 PHE HE1 . 10194 1 671 . 1 1 58 58 PHE CE2 C 13 131.893 0.300 . 1 . . . . 58 PHE CE2 . 10194 1 672 . 1 1 58 58 PHE HE2 H 1 7.435 0.030 . 1 . . . . 58 PHE HE2 . 10194 1 673 . 1 1 58 58 PHE CZ C 13 129.748 0.300 . 1 . . . . 58 PHE CZ . 10194 1 674 . 1 1 58 58 PHE HZ H 1 7.427 0.030 . 1 . . . . 58 PHE HZ . 10194 1 675 . 1 1 58 58 PHE C C 13 174.837 0.300 . 1 . . . . 58 PHE C . 10194 1 676 . 1 1 59 59 VAL N N 15 109.843 0.300 . 1 . . . . 59 VAL N . 10194 1 677 . 1 1 59 59 VAL H H 1 7.796 0.030 . 1 . . . . 59 VAL H . 10194 1 678 . 1 1 59 59 VAL CA C 13 58.332 0.300 . 1 . . . . 59 VAL CA . 10194 1 679 . 1 1 59 59 VAL HA H 1 5.333 0.030 . 1 . . . . 59 VAL HA . 10194 1 680 . 1 1 59 59 VAL CB C 13 35.704 0.300 . 1 . . . . 59 VAL CB . 10194 1 681 . 1 1 59 59 VAL HB H 1 1.740 0.030 . 1 . . . . 59 VAL HB . 10194 1 682 . 1 1 59 59 VAL CG1 C 13 21.549 0.300 . 2 . . . . 59 VAL CG1 . 10194 1 683 . 1 1 59 59 VAL HG11 H 1 0.347 0.030 . 1 . . . . 59 VAL HG1 . 10194 1 684 . 1 1 59 59 VAL HG12 H 1 0.347 0.030 . 1 . . . . 59 VAL HG1 . 10194 1 685 . 1 1 59 59 VAL HG13 H 1 0.347 0.030 . 1 . . . . 59 VAL HG1 . 10194 1 686 . 1 1 59 59 VAL CG2 C 13 19.364 0.300 . 2 . . . . 59 VAL CG2 . 10194 1 687 . 1 1 59 59 VAL HG21 H 1 0.991 0.030 . 1 . . . . 59 VAL HG2 . 10194 1 688 . 1 1 59 59 VAL HG22 H 1 0.991 0.030 . 1 . . . . 59 VAL HG2 . 10194 1 689 . 1 1 59 59 VAL HG23 H 1 0.991 0.030 . 1 . . . . 59 VAL HG2 . 10194 1 690 . 1 1 59 59 VAL C C 13 173.452 0.300 . 1 . . . . 59 VAL C . 10194 1 691 . 1 1 60 60 GLU N N 15 119.932 0.300 . 1 . . . . 60 GLU N . 10194 1 692 . 1 1 60 60 GLU H H 1 8.699 0.030 . 1 . . . . 60 GLU H . 10194 1 693 . 1 1 60 60 GLU CA C 13 54.202 0.300 . 1 . . . . 60 GLU CA . 10194 1 694 . 1 1 60 60 GLU HA H 1 4.863 0.030 . 1 . . . . 60 GLU HA . 10194 1 695 . 1 1 60 60 GLU CB C 13 33.573 0.300 . 1 . . . . 60 GLU CB . 10194 1 696 . 1 1 60 60 GLU HB2 H 1 1.991 0.030 . 1 . . . . 60 GLU HB2 . 10194 1 697 . 1 1 60 60 GLU HB3 H 1 1.991 0.030 . 1 . . . . 60 GLU HB3 . 10194 1 698 . 1 1 60 60 GLU CG C 13 36.125 0.300 . 1 . . . . 60 GLU CG . 10194 1 699 . 1 1 60 60 GLU HG2 H 1 2.136 0.030 . 2 . . . . 60 GLU HG2 . 10194 1 700 . 1 1 60 60 GLU HG3 H 1 2.285 0.030 . 2 . . . . 60 GLU HG3 . 10194 1 701 . 1 1 60 60 GLU C C 13 176.100 0.300 . 1 . . . . 60 GLU C . 10194 1 702 . 1 1 61 61 VAL N N 15 127.661 0.300 . 1 . . . . 61 VAL N . 10194 1 703 . 1 1 61 61 VAL H H 1 9.107 0.030 . 1 . . . . 61 VAL H . 10194 1 704 . 1 1 61 61 VAL CA C 13 64.612 0.300 . 1 . . . . 61 VAL CA . 10194 1 705 . 1 1 61 61 VAL HA H 1 3.957 0.030 . 1 . . . . 61 VAL HA . 10194 1 706 . 1 1 61 61 VAL CB C 13 31.875 0.300 . 1 . . . . 61 VAL CB . 10194 1 707 . 1 1 61 61 VAL HB H 1 2.101 0.030 . 1 . . . . 61 VAL HB . 10194 1 708 . 1 1 61 61 VAL CG1 C 13 22.854 0.300 . 2 . . . . 61 VAL CG1 . 10194 1 709 . 1 1 61 61 VAL HG11 H 1 1.174 0.030 . 1 . . . . 61 VAL HG1 . 10194 1 710 . 1 1 61 61 VAL HG12 H 1 1.174 0.030 . 1 . . . . 61 VAL HG1 . 10194 1 711 . 1 1 61 61 VAL HG13 H 1 1.174 0.030 . 1 . . . . 61 VAL HG1 . 10194 1 712 . 1 1 61 61 VAL CG2 C 13 21.544 0.300 . 2 . . . . 61 VAL CG2 . 10194 1 713 . 1 1 61 61 VAL HG21 H 1 1.039 0.030 . 1 . . . . 61 VAL HG2 . 10194 1 714 . 1 1 61 61 VAL HG22 H 1 1.039 0.030 . 1 . . . . 61 VAL HG2 . 10194 1 715 . 1 1 61 61 VAL HG23 H 1 1.039 0.030 . 1 . . . . 61 VAL HG2 . 10194 1 716 . 1 1 61 61 VAL C C 13 176.294 0.300 . 1 . . . . 61 VAL C . 10194 1 717 . 1 1 62 62 LEU N N 15 128.512 0.300 . 1 . . . . 62 LEU N . 10194 1 718 . 1 1 62 62 LEU H H 1 8.777 0.030 . 1 . . . . 62 LEU H . 10194 1 719 . 1 1 62 62 LEU CA C 13 54.677 0.300 . 1 . . . . 62 LEU CA . 10194 1 720 . 1 1 62 62 LEU HA H 1 4.456 0.030 . 1 . . . . 62 LEU HA . 10194 1 721 . 1 1 62 62 LEU CB C 13 42.548 0.300 . 1 . . . . 62 LEU CB . 10194 1 722 . 1 1 62 62 LEU HB2 H 1 1.650 0.030 . 2 . . . . 62 LEU HB2 . 10194 1 723 . 1 1 62 62 LEU HB3 H 1 1.453 0.030 . 2 . . . . 62 LEU HB3 . 10194 1 724 . 1 1 62 62 LEU CG C 13 27.182 0.300 . 1 . . . . 62 LEU CG . 10194 1 725 . 1 1 62 62 LEU HG H 1 1.638 0.030 . 1 . . . . 62 LEU HG . 10194 1 726 . 1 1 62 62 LEU CD1 C 13 25.709 0.300 . 2 . . . . 62 LEU CD1 . 10194 1 727 . 1 1 62 62 LEU HD11 H 1 0.798 0.030 . 1 . . . . 62 LEU HD1 . 10194 1 728 . 1 1 62 62 LEU HD12 H 1 0.798 0.030 . 1 . . . . 62 LEU HD1 . 10194 1 729 . 1 1 62 62 LEU HD13 H 1 0.798 0.030 . 1 . . . . 62 LEU HD1 . 10194 1 730 . 1 1 62 62 LEU CD2 C 13 22.914 0.300 . 2 . . . . 62 LEU CD2 . 10194 1 731 . 1 1 62 62 LEU HD21 H 1 0.859 0.030 . 1 . . . . 62 LEU HD2 . 10194 1 732 . 1 1 62 62 LEU HD22 H 1 0.859 0.030 . 1 . . . . 62 LEU HD2 . 10194 1 733 . 1 1 62 62 LEU HD23 H 1 0.859 0.030 . 1 . . . . 62 LEU HD2 . 10194 1 734 . 1 1 62 62 LEU C C 13 176.888 0.300 . 1 . . . . 62 LEU C . 10194 1 735 . 1 1 63 63 ASP N N 15 122.605 0.300 . 1 . . . . 63 ASP N . 10194 1 736 . 1 1 63 63 ASP H H 1 8.588 0.030 . 1 . . . . 63 ASP H . 10194 1 737 . 1 1 63 63 ASP CA C 13 53.971 0.300 . 1 . . . . 63 ASP CA . 10194 1 738 . 1 1 63 63 ASP HA H 1 4.643 0.030 . 1 . . . . 63 ASP HA . 10194 1 739 . 1 1 63 63 ASP CB C 13 41.629 0.300 . 1 . . . . 63 ASP CB . 10194 1 740 . 1 1 63 63 ASP HB2 H 1 2.782 0.030 . 2 . . . . 63 ASP HB2 . 10194 1 741 . 1 1 63 63 ASP HB3 H 1 2.701 0.030 . 2 . . . . 63 ASP HB3 . 10194 1 742 . 1 1 63 63 ASP C C 13 176.460 0.300 . 1 . . . . 63 ASP C . 10194 1 743 . 1 1 64 64 GLU N N 15 122.614 0.300 . 1 . . . . 64 GLU N . 10194 1 744 . 1 1 64 64 GLU H H 1 8.634 0.030 . 1 . . . . 64 GLU H . 10194 1 745 . 1 1 64 64 GLU CA C 13 57.086 0.300 . 1 . . . . 64 GLU CA . 10194 1 746 . 1 1 64 64 GLU HA H 1 4.158 0.030 . 1 . . . . 64 GLU HA . 10194 1 747 . 1 1 64 64 GLU CB C 13 30.055 0.300 . 1 . . . . 64 GLU CB . 10194 1 748 . 1 1 64 64 GLU HB2 H 1 2.066 0.030 . 2 . . . . 64 GLU HB2 . 10194 1 749 . 1 1 64 64 GLU HB3 H 1 1.921 0.030 . 2 . . . . 64 GLU HB3 . 10194 1 750 . 1 1 64 64 GLU CG C 13 36.577 0.300 . 1 . . . . 64 GLU CG . 10194 1 751 . 1 1 64 64 GLU HG2 H 1 2.219 0.030 . 1 . . . . 64 GLU HG2 . 10194 1 752 . 1 1 64 64 GLU HG3 H 1 2.219 0.030 . 1 . . . . 64 GLU HG3 . 10194 1 753 . 1 1 64 64 GLU C C 13 176.801 0.300 . 1 . . . . 64 GLU C . 10194 1 754 . 1 1 65 65 ARG N N 15 120.526 0.300 . 1 . . . . 65 ARG N . 10194 1 755 . 1 1 65 65 ARG H H 1 8.416 0.030 . 1 . . . . 65 ARG H . 10194 1 756 . 1 1 65 65 ARG CA C 13 56.430 0.300 . 1 . . . . 65 ARG CA . 10194 1 757 . 1 1 65 65 ARG HA H 1 4.323 0.030 . 1 . . . . 65 ARG HA . 10194 1 758 . 1 1 65 65 ARG CB C 13 30.493 0.300 . 1 . . . . 65 ARG CB . 10194 1 759 . 1 1 65 65 ARG HB2 H 1 1.912 0.030 . 2 . . . . 65 ARG HB2 . 10194 1 760 . 1 1 65 65 ARG HB3 H 1 1.821 0.030 . 2 . . . . 65 ARG HB3 . 10194 1 761 . 1 1 65 65 ARG CG C 13 27.221 0.300 . 1 . . . . 65 ARG CG . 10194 1 762 . 1 1 65 65 ARG HG2 H 1 1.657 0.030 . 1 . . . . 65 ARG HG2 . 10194 1 763 . 1 1 65 65 ARG HG3 H 1 1.657 0.030 . 1 . . . . 65 ARG HG3 . 10194 1 764 . 1 1 65 65 ARG CD C 13 43.379 0.300 . 1 . . . . 65 ARG CD . 10194 1 765 . 1 1 65 65 ARG HD2 H 1 3.213 0.030 . 2 . . . . 65 ARG HD2 . 10194 1 766 . 1 1 65 65 ARG HD3 H 1 3.171 0.030 . 2 . . . . 65 ARG HD3 . 10194 1 767 . 1 1 65 65 ARG C C 13 176.896 0.300 . 1 . . . . 65 ARG C . 10194 1 768 . 1 1 66 66 SER N N 15 116.214 0.300 . 1 . . . . 66 SER N . 10194 1 769 . 1 1 66 66 SER H H 1 8.225 0.030 . 1 . . . . 66 SER H . 10194 1 770 . 1 1 66 66 SER CA C 13 58.732 0.300 . 1 . . . . 66 SER CA . 10194 1 771 . 1 1 66 66 SER HA H 1 4.799 0.030 . 1 . . . . 66 SER HA . 10194 1 772 . 1 1 66 66 SER CB C 13 63.879 0.300 . 1 . . . . 66 SER CB . 10194 1 773 . 1 1 66 66 SER HB2 H 1 3.932 0.030 . 2 . . . . 66 SER HB2 . 10194 1 774 . 1 1 66 66 SER HB3 H 1 4.004 0.030 . 2 . . . . 66 SER HB3 . 10194 1 775 . 1 1 66 66 SER C C 13 175.225 0.300 . 1 . . . . 66 SER C . 10194 1 776 . 1 1 67 67 LYS CA C 13 56.993 0.300 . 1 . . . . 67 LYS CA . 10194 1 777 . 1 1 67 67 LYS HA H 1 4.270 0.030 . 1 . . . . 67 LYS HA . 10194 1 778 . 1 1 67 67 LYS CB C 13 32.724 0.300 . 1 . . . . 67 LYS CB . 10194 1 779 . 1 1 67 67 LYS HB2 H 1 1.819 0.030 . 2 . . . . 67 LYS HB2 . 10194 1 780 . 1 1 67 67 LYS HB3 H 1 1.780 0.030 . 2 . . . . 67 LYS HB3 . 10194 1 781 . 1 1 67 67 LYS CG C 13 24.750 0.300 . 1 . . . . 67 LYS CG . 10194 1 782 . 1 1 67 67 LYS HG2 H 1 1.427 0.030 . 1 . . . . 67 LYS HG2 . 10194 1 783 . 1 1 67 67 LYS HG3 H 1 1.427 0.030 . 1 . . . . 67 LYS HG3 . 10194 1 784 . 1 1 67 67 LYS CD C 13 29.036 0.300 . 1 . . . . 67 LYS CD . 10194 1 785 . 1 1 67 67 LYS HD2 H 1 1.679 0.030 . 1 . . . . 67 LYS HD2 . 10194 1 786 . 1 1 67 67 LYS HD3 H 1 1.679 0.030 . 1 . . . . 67 LYS HD3 . 10194 1 787 . 1 1 67 67 LYS CE C 13 42.114 0.300 . 1 . . . . 67 LYS CE . 10194 1 788 . 1 1 67 67 LYS HE2 H 1 3.004 0.030 . 1 . . . . 67 LYS HE2 . 10194 1 789 . 1 1 67 67 LYS HE3 H 1 3.004 0.030 . 1 . . . . 67 LYS HE3 . 10194 1 790 . 1 1 68 68 GLU N N 15 120.561 0.300 . 1 . . . . 68 GLU N . 10194 1 791 . 1 1 68 68 GLU H H 1 8.417 0.030 . 1 . . . . 68 GLU H . 10194 1 792 . 1 1 68 68 GLU CA C 13 57.144 0.300 . 1 . . . . 68 GLU CA . 10194 1 793 . 1 1 68 68 GLU HA H 1 4.193 0.030 . 1 . . . . 68 GLU HA . 10194 1 794 . 1 1 68 68 GLU CB C 13 30.025 0.300 . 1 . . . . 68 GLU CB . 10194 1 795 . 1 1 68 68 GLU HB2 H 1 1.942 0.030 . 2 . . . . 68 GLU HB2 . 10194 1 796 . 1 1 68 68 GLU HB3 H 1 1.871 0.030 . 2 . . . . 68 GLU HB3 . 10194 1 797 . 1 1 68 68 GLU CG C 13 36.383 0.300 . 1 . . . . 68 GLU CG . 10194 1 798 . 1 1 68 68 GLU HG2 H 1 2.188 0.030 . 1 . . . . 68 GLU HG2 . 10194 1 799 . 1 1 68 68 GLU HG3 H 1 2.188 0.030 . 1 . . . . 68 GLU HG3 . 10194 1 800 . 1 1 68 68 GLU C C 13 176.828 0.300 . 1 . . . . 68 GLU C . 10194 1 801 . 1 1 69 69 TYR N N 15 120.399 0.300 . 1 . . . . 69 TYR N . 10194 1 802 . 1 1 69 69 TYR H H 1 8.027 0.030 . 1 . . . . 69 TYR H . 10194 1 803 . 1 1 69 69 TYR CA C 13 58.296 0.300 . 1 . . . . 69 TYR CA . 10194 1 804 . 1 1 69 69 TYR HA H 1 4.504 0.030 . 1 . . . . 69 TYR HA . 10194 1 805 . 1 1 69 69 TYR CB C 13 38.965 0.300 . 1 . . . . 69 TYR CB . 10194 1 806 . 1 1 69 69 TYR HB2 H 1 2.958 0.030 . 2 . . . . 69 TYR HB2 . 10194 1 807 . 1 1 69 69 TYR HB3 H 1 3.074 0.030 . 2 . . . . 69 TYR HB3 . 10194 1 808 . 1 1 69 69 TYR CD1 C 13 133.225 0.300 . 1 . . . . 69 TYR CD1 . 10194 1 809 . 1 1 69 69 TYR HD1 H 1 7.093 0.030 . 1 . . . . 69 TYR HD1 . 10194 1 810 . 1 1 69 69 TYR CD2 C 13 133.225 0.300 . 1 . . . . 69 TYR CD2 . 10194 1 811 . 1 1 69 69 TYR HD2 H 1 7.093 0.030 . 1 . . . . 69 TYR HD2 . 10194 1 812 . 1 1 69 69 TYR CE1 C 13 118.258 0.300 . 1 . . . . 69 TYR CE1 . 10194 1 813 . 1 1 69 69 TYR HE1 H 1 6.821 0.030 . 1 . . . . 69 TYR HE1 . 10194 1 814 . 1 1 69 69 TYR CE2 C 13 118.258 0.300 . 1 . . . . 69 TYR CE2 . 10194 1 815 . 1 1 69 69 TYR HE2 H 1 6.821 0.030 . 1 . . . . 69 TYR HE2 . 10194 1 816 . 1 1 69 69 TYR C C 13 176.367 0.300 . 1 . . . . 69 TYR C . 10194 1 817 . 1 1 70 70 SER N N 15 117.031 0.300 . 1 . . . . 70 SER N . 10194 1 818 . 1 1 70 70 SER H H 1 8.067 0.030 . 1 . . . . 70 SER H . 10194 1 819 . 1 1 70 70 SER CA C 13 58.167 0.300 . 1 . . . . 70 SER CA . 10194 1 820 . 1 1 70 70 SER HA H 1 4.441 0.030 . 1 . . . . 70 SER HA . 10194 1 821 . 1 1 70 70 SER CB C 13 63.911 0.300 . 1 . . . . 70 SER CB . 10194 1 822 . 1 1 70 70 SER HB2 H 1 3.835 0.030 . 1 . . . . 70 SER HB2 . 10194 1 823 . 1 1 70 70 SER HB3 H 1 3.835 0.030 . 1 . . . . 70 SER HB3 . 10194 1 824 . 1 1 70 70 SER C C 13 174.448 0.300 . 1 . . . . 70 SER C . 10194 1 825 . 1 1 71 71 ILE N N 15 122.402 0.300 . 1 . . . . 71 ILE N . 10194 1 826 . 1 1 71 71 ILE H H 1 8.083 0.030 . 1 . . . . 71 ILE H . 10194 1 827 . 1 1 71 71 ILE CA C 13 61.411 0.300 . 1 . . . . 71 ILE CA . 10194 1 828 . 1 1 71 71 ILE HA H 1 4.161 0.030 . 1 . . . . 71 ILE HA . 10194 1 829 . 1 1 71 71 ILE CB C 13 38.779 0.300 . 1 . . . . 71 ILE CB . 10194 1 830 . 1 1 71 71 ILE HB H 1 1.876 0.030 . 1 . . . . 71 ILE HB . 10194 1 831 . 1 1 71 71 ILE CG1 C 13 27.371 0.300 . 1 . . . . 71 ILE CG1 . 10194 1 832 . 1 1 71 71 ILE HG12 H 1 1.478 0.030 . 2 . . . . 71 ILE HG12 . 10194 1 833 . 1 1 71 71 ILE HG13 H 1 1.180 0.030 . 2 . . . . 71 ILE HG13 . 10194 1 834 . 1 1 71 71 ILE CG2 C 13 17.478 0.300 . 1 . . . . 71 ILE CG2 . 10194 1 835 . 1 1 71 71 ILE HG21 H 1 0.927 0.030 . 1 . . . . 71 ILE HG2 . 10194 1 836 . 1 1 71 71 ILE HG22 H 1 0.927 0.030 . 1 . . . . 71 ILE HG2 . 10194 1 837 . 1 1 71 71 ILE HG23 H 1 0.927 0.030 . 1 . . . . 71 ILE HG2 . 10194 1 838 . 1 1 71 71 ILE CD1 C 13 13.127 0.300 . 1 . . . . 71 ILE CD1 . 10194 1 839 . 1 1 71 71 ILE HD11 H 1 0.884 0.030 . 1 . . . . 71 ILE HD1 . 10194 1 840 . 1 1 71 71 ILE HD12 H 1 0.884 0.030 . 1 . . . . 71 ILE HD1 . 10194 1 841 . 1 1 71 71 ILE HD13 H 1 0.884 0.030 . 1 . . . . 71 ILE HD1 . 10194 1 842 . 1 1 71 71 ILE C C 13 176.172 0.300 . 1 . . . . 71 ILE C . 10194 1 843 . 1 1 72 72 ALA N N 15 127.574 0.300 . 1 . . . . 72 ALA N . 10194 1 844 . 1 1 72 72 ALA H H 1 8.306 0.030 . 1 . . . . 72 ALA H . 10194 1 845 . 1 1 72 72 ALA CA C 13 52.631 0.300 . 1 . . . . 72 ALA CA . 10194 1 846 . 1 1 72 72 ALA HA H 1 4.366 0.030 . 1 . . . . 72 ALA HA . 10194 1 847 . 1 1 72 72 ALA CB C 13 19.242 0.300 . 1 . . . . 72 ALA CB . 10194 1 848 . 1 1 72 72 ALA HB1 H 1 1.402 0.030 . 1 . . . . 72 ALA HB . 10194 1 849 . 1 1 72 72 ALA HB2 H 1 1.402 0.030 . 1 . . . . 72 ALA HB . 10194 1 850 . 1 1 72 72 ALA HB3 H 1 1.402 0.030 . 1 . . . . 72 ALA HB . 10194 1 851 . 1 1 72 72 ALA C C 13 177.702 0.300 . 1 . . . . 72 ALA C . 10194 1 852 . 1 1 73 73 SER N N 15 115.199 0.300 . 1 . . . . 73 SER N . 10194 1 853 . 1 1 73 73 SER H H 1 8.223 0.030 . 1 . . . . 73 SER H . 10194 1 854 . 1 1 73 73 SER CA C 13 58.285 0.300 . 1 . . . . 73 SER CA . 10194 1 855 . 1 1 73 73 SER HA H 1 4.471 0.030 . 1 . . . . 73 SER HA . 10194 1 856 . 1 1 73 73 SER CB C 13 64.233 0.300 . 1 . . . . 73 SER CB . 10194 1 857 . 1 1 73 73 SER HB2 H 1 3.880 0.030 . 1 . . . . 73 SER HB2 . 10194 1 858 . 1 1 73 73 SER HB3 H 1 3.880 0.030 . 1 . . . . 73 SER HB3 . 10194 1 859 . 1 1 73 73 SER C C 13 174.639 0.300 . 1 . . . . 73 SER C . 10194 1 860 . 1 1 74 74 GLY N N 15 110.616 0.300 . 1 . . . . 74 GLY N . 10194 1 861 . 1 1 74 74 GLY H H 1 8.185 0.030 . 1 . . . . 74 GLY H . 10194 1 862 . 1 1 74 74 GLY CA C 13 44.677 0.300 . 1 . . . . 74 GLY CA . 10194 1 863 . 1 1 74 74 GLY HA2 H 1 4.171 0.030 . 2 . . . . 74 GLY HA2 . 10194 1 864 . 1 1 74 74 GLY HA3 H 1 4.107 0.030 . 2 . . . . 74 GLY HA3 . 10194 1 865 . 1 1 74 74 GLY C C 13 171.850 0.300 . 1 . . . . 74 GLY C . 10194 1 866 . 1 1 75 75 PRO CA C 13 63.266 0.300 . 1 . . . . 75 PRO CA . 10194 1 867 . 1 1 75 75 PRO HA H 1 4.487 0.030 . 1 . . . . 75 PRO HA . 10194 1 868 . 1 1 75 75 PRO CB C 13 32.196 0.300 . 1 . . . . 75 PRO CB . 10194 1 869 . 1 1 75 75 PRO HB2 H 1 2.304 0.030 . 1 . . . . 75 PRO HB2 . 10194 1 870 . 1 1 75 75 PRO HB3 H 1 2.304 0.030 . 1 . . . . 75 PRO HB3 . 10194 1 871 . 1 1 75 75 PRO CG C 13 27.204 0.300 . 1 . . . . 75 PRO CG . 10194 1 872 . 1 1 75 75 PRO HG2 H 1 2.027 0.030 . 1 . . . . 75 PRO HG2 . 10194 1 873 . 1 1 75 75 PRO HG3 H 1 2.027 0.030 . 1 . . . . 75 PRO HG3 . 10194 1 874 . 1 1 75 75 PRO CD C 13 49.839 0.300 . 1 . . . . 75 PRO CD . 10194 1 875 . 1 1 75 75 PRO HD2 H 1 3.635 0.030 . 1 . . . . 75 PRO HD2 . 10194 1 876 . 1 1 75 75 PRO HD3 H 1 3.635 0.030 . 1 . . . . 75 PRO HD3 . 10194 1 877 . 1 1 76 76 SER N N 15 116.439 0.300 . 1 . . . . 76 SER N . 10194 1 878 . 1 1 76 76 SER H H 1 8.562 0.030 . 1 . . . . 76 SER H . 10194 1 879 . 1 1 76 76 SER CA C 13 58.747 0.300 . 1 . . . . 76 SER CA . 10194 1 880 . 1 1 76 76 SER CB C 13 64.105 0.300 . 1 . . . . 76 SER CB . 10194 1 881 . 1 1 76 76 SER HB2 H 1 4.075 0.030 . 2 . . . . 76 SER HB2 . 10194 1 stop_ save_